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Rosetta 3 - General
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FAQ by admin » Mon, 2010-08-30 04:16 |
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7,927 |
by admin Fri, 2015-09-04 16:17 |
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Question about computer specifications requirement of RFdiffusion by ng98 » Mon, 2024-05-06 02:18 |
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66 |
by nannemdp Mon, 2024-05-06 20:09 |
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How do I implement more CPU cores in the execution of FlexPepDock? by ChoripanSalado » Thu, 2024-05-02 08:55 |
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80 |
by ChoripanSalado Thu, 2024-05-02 08:55 |
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Canceling jobs - RosettaDock5.0 by katie » Tue, 2024-04-09 12:30 |
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87 |
by katie Tue, 2024-04-09 12:30 |
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Scripts and/or strategies for saturation mutagenesis simulations? by drinker615 » Tue, 2024-04-16 18:43 |
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90 |
by drinker615 Tue, 2024-04-16 18:43 |
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Discrepancies between Foldit fa_rep score and Rosseta jd2 score fa_rep score by mrosam » Fri, 2024-04-19 07:57 |
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98 |
by mrosam Fri, 2024-04-19 07:57 |
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clustering PDBs from docking by jbujons » Wed, 2024-04-24 08:34 |
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105 |
by jbujons Wed, 2024-04-24 09:34 |
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Segmentation Fault by ileanexis » Mon, 2024-03-11 08:53 |
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139 |
by ileanexis Mon, 2024-03-11 08:53 |
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Hamiltonian Exchange by JSK » Mon, 2024-03-18 12:44 |
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159 |
by JSK Tue, 2024-03-19 09:21 |
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JD3 FastRelax over MPI - crashes on relax completion/before writing output by aduffy33 » Tue, 2024-03-12 12:51 |
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170 |
by aduffy33 Tue, 2024-03-12 12:52 |
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Issues with rosetta numbering and keeping ligand when relaxing molecule. by Wexter300 » Sun, 2024-04-28 14:37 |
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172 |
by Wexter300 Tue, 2024-05-07 10:16 |
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Filters saying atom type does not exist on residue by mdm95 » Mon, 2024-03-04 15:13 |
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211 |
by mdm95 Tue, 2024-03-05 14:05 |
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FARFAR2 error: [ERROR: Not complementary at positions] by Eden » Sat, 2023-11-18 02:39 |
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246 |
by Eden Sat, 2023-11-18 02:39 |
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[Question] How do the <FILTERS> confidence work? by jrom » Wed, 2024-01-24 10:25 |
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252 |
by rmoretti Wed, 2024-01-24 11:55 |
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Global Docking with output analysis RMS by kwu030 » Fri, 2024-02-23 09:17 |
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255 |
by rmoretti Mon, 2024-02-26 08:24 |
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protein-protein docking by LUOD » Thu, 2023-11-02 18:23 |
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258 |
by LUOD Thu, 2023-11-02 18:25 |
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Methodology Feedback with As(III) and Pb(II) Binding by rnogy » Mon, 2023-11-06 17:05 |
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264 |
by rnogy Mon, 2023-11-06 17:06 |
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Error when running AqueousPoreFinder protocol by mluengo » Mon, 2023-12-11 02:55 |
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277 |
by mluengo Mon, 2023-12-11 03:13 |
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Error about rifdocking by ng98 » Mon, 2024-01-08 16:21 |
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286 |
by rmoretti Tue, 2024-01-09 23:41 |
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Rigidifying ligand by Daniel_Levin » Sun, 2024-02-18 12:10 |
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295 |
by Daniel_Levin Sun, 2024-02-18 12:10 |
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Problem with relaxing a PDB around a chemically bound ligand by drinker615 » Sat, 2024-04-06 16:04 |
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304 |
by drinker615 Tue, 2024-04-16 19:06 |
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Questions about gen_apo_grids by JasonIsaac » Sat, 2023-06-17 00:20 |
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354 |
by JasonIsaac Sat, 2023-06-17 00:20 |
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Changing amino acid profile while keeping the backbone conformation between 2 protein structures (need help) by seamoon » Wed, 2023-05-24 07:46 |
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366 |
by seamoon Wed, 2023-05-24 07:46 |
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Scoring correlation with electron density map by mrosam » Thu, 2023-05-25 05:14 |
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370 |
by mrosam Thu, 2023-05-25 05:14 |
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TaskOperations with AntibodyDesignMover by chenna » Sun, 2023-04-23 23:52 |
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373 |
by chenna Sun, 2023-04-23 23:52 |
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Cartesian_ddG mutfile error by paulbo » Mon, 2024-02-05 01:25 |
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388 |
by paulbo Mon, 2024-02-05 01:25 |
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How many rifdock can I run at a time on a 64 CPUs and 512GB memory server? by JasonIsaac » Tue, 2023-05-02 03:39 |
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390 |
by JasonIsaac Tue, 2023-05-02 03:39 |
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how to generate _prepro.rama file for a customized beta-amino acid residues? by wwwmrzkwww » Sun, 2023-04-23 14:25 |
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391 |
by wwwmrzkwww Sun, 2023-04-23 14:25 |
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Any general way to generate .params file for beta and gamma NCAA? by wwwmrzkwww » Wed, 2023-04-26 12:35 |
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396 |
by wwwmrzkwww Wed, 2023-04-26 12:35 |
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Memory error - double free or corruption by almeida85 » Thu, 2023-05-25 06:18 |
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411 |
by almeida85 Thu, 2023-05-25 06:18 |
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Error in H3_modeling_scores.fasc file from antibody_H3 program by Brian Wiley » Sat, 2023-02-04 23:41 |
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421 |
by Brian Wiley Sat, 2023-02-04 23:43 |
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Predicting conformations of mutated residues by Delfosse57 » Tue, 2023-08-22 12:26 |
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435 |
by rmoretti Wed, 2023-08-23 08:26 |
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JD3 w/ Silent file output crashing - Option filename not found by aduffy33 » Mon, 2023-10-30 13:40 |
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438 |
by aduffy33 Mon, 2023-10-30 15:35 |
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Segmentation fault with nstruct > 1 by Brian Wiley » Sun, 2023-02-12 20:46 |
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441 |
by Brian Wiley Sun, 2023-02-12 20:46 |
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Rosetta remodelling - how to change the added residue type instead of just VAL by xuezhi » Wed, 2023-02-15 14:00 |
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444 |
by xuezhi Wed, 2023-02-15 14:00 |
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setting timeout option in MPI run by syntekabio2019 » Mon, 2024-02-26 01:09 |
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456 |
by rmoretti Wed, 2024-02-28 09:20 |
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How to set jump between ligands by Zehui Zhou » Wed, 2023-02-15 04:48 |
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468 |
by Zehui Zhou Wed, 2023-02-15 07:12 |
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Unable to download Rosetta by Yair Tenorio » Mon, 2023-10-23 11:48 |
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473 |
by Yair Tenorio Mon, 2023-10-23 12:29 |
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GALigandDock errors by Delfosse57 » Mon, 2023-08-07 13:16 |
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475 |
by Delfosse57 Mon, 2023-08-07 13:16 |
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FARFAR2 Error With Secondary Structure File by bdh81 » Thu, 2023-11-02 09:01 |
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485 |
by bdh81 Sun, 2023-11-05 16:04 |
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Problem with sugar parameters by Martin Floor » Sat, 2023-10-07 10:17 |
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485 |
by Martin Floor Sat, 2023-10-07 10:17 |
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Replacing a single residue in a structure by Wexter300 » Sat, 2023-09-16 14:23 |
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507 |
by Wexter300 Sat, 2023-09-16 14:23 |
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Interface scores comparison by NingNing » Tue, 2022-08-09 17:36 |
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507 |
by NingNing Tue, 2022-08-09 17:36 |
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Which application/mover should I use to evaluate the ddg between apo enzyme and enzyme binding with transition state? by JasonIsaac » Wed, 2023-02-22 18:36 |
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509 |
by JasonIsaac Wed, 2023-02-22 18:36 |
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Temperature by mrosam » Mon, 2022-08-08 01:37 |
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510 |
by mrosam Mon, 2022-08-08 01:37 |
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protein location change during Docking protocol by Hyun » Tue, 2022-03-29 19:53 |
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514 |
by Hyun Tue, 2022-03-29 19:53 |
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RosettaDock-3.2 output by Zjq1998 » Wed, 2022-06-15 23:54 |
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514 |
by Zjq1998 Wed, 2022-06-15 23:54 |
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How to add new Movers to Rosetta by mb0261 » Thu, 2022-06-30 10:48 |
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519 |
by mb0261 Thu, 2022-06-30 10:48 |
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Rosettascript - change residue number and chain ID by cttm4a1 » Wed, 2022-09-14 23:40 |
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527 |
by cttm4a1 Wed, 2022-09-14 23:40 |
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On iterations in ddg_monomer by Proteinmechanic » Fri, 2022-09-30 21:23 |
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529 |
by Proteinmechanic Fri, 2022-09-30 21:23 |
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rosie github log in by YUANXU » Tue, 2023-04-25 20:13 |
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532 |
by Sergey Thu, 2023-04-27 12:03 |
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Proper indexing of grafted residues by CCDEndsGraftMover by cttm4a1 » Wed, 2022-09-07 23:41 |
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537 |
by cttm4a1 Wed, 2022-09-07 23:41 |
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Problems with ICOOR when generating polymer params file by liuwenxi » Tue, 2022-08-09 08:33 |
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540 |
by liuwenxi Tue, 2022-08-09 08:33 |
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Antigen-antibody modeling by aastha.pal » Mon, 2022-06-27 09:34 |
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541 |
by aastha.pal Mon, 2022-06-27 09:34 |
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Error with residue selectors not counting indices correctly. by Wexter300 » Tue, 2023-04-04 11:04 |
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549 |
by ajasja Wed, 2023-04-05 00:20 |
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Ensemble file required for both partners with docking prepack protocol by katherinemccoy » Tue, 2022-03-29 14:26 |
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550 |
by katherinemccoy Tue, 2022-03-29 14:26 |
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Failure to produce a cst file by biotech » Wed, 2022-10-26 11:17 |
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550 |
by biotech Wed, 2022-10-26 11:17 |
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Generating Params File for water molecule by Ahmed Raslan » Thu, 2023-08-17 13:13 |
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550 |
by Ahmed Raslan Thu, 2023-08-17 13:13 |
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Question about remodelling by tonycheng1688 » Mon, 2022-04-25 13:51 |
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551 |
by tonycheng1688 Mon, 2022-04-25 13:51 |
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Get fasta from PDB script correction - Solved by ialvy » Tue, 2022-08-30 00:00 |
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555 |
by ialvy Tue, 2022-08-30 00:00 |
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N-Terminal Galactose by SebastianBB » Mon, 2022-11-21 08:33 |
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556 |
by SebastianBB Mon, 2022-11-21 08:33 |
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Error with sequence_tolerance.R processing the checkpoint files, *.ga.entities and *.ga.generations. by He Xiao » Mon, 2022-11-07 03:41 |
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560 |
by He Xiao Mon, 2022-11-07 04:10 |
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Porblem with Rosetta Homology Modelling by Karthik » Wed, 2022-07-13 23:45 |
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560 |
by Karthik Wed, 2022-07-13 23:45 |
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Error when using published constraints file by Delfosse57 » Thu, 2023-08-17 11:22 |
2 |
571 |
by ikalvet Mon, 2023-08-21 05:52 |
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Docking antibody to membrane protein by Yegor_Ko » Thu, 2023-10-12 07:37 |
2 |
573 |
by Yegor_Ko Fri, 2023-10-20 01:35 |
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[ WARNING ] missing an atom: 1 H that depends on a nonexistent polymer connection! by Jane_002 » Tue, 2023-08-08 21:07 |
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576 |
by Jane_002 Tue, 2023-08-08 21:07 |
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Error in rosetta_scripts.mpi.linuxgccrelease: double free or corruption (!prev): 0x0000000007697a90 by almeida85 » Thu, 2022-11-17 01:04 |
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580 |
by almeida85 Thu, 2022-11-17 01:04 |
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Predicting structure of protein after a few mutations by Delfosse57 » Thu, 2022-12-01 20:40 |
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589 |
by Delfosse57 Thu, 2022-12-01 20:40 |
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Designing Feasible Backbones by csvajda » Sat, 2022-08-13 08:08 |
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592 |
by csvajda Sat, 2022-08-13 08:08 |
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Prepacking crashing using metalloprotein by mb0261 » Tue, 2022-12-06 10:16 |
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600 |
by mb0261 Tue, 2022-12-06 10:16 |
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GeneralizedKIC side chain closure. by almeida85 » Mon, 2022-09-19 06:13 |
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602 |
by almeida85 Mon, 2022-09-19 07:22 |
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Loop modeling by Robertofg » Tue, 2022-11-22 00:34 |
0 |
603 |
by Robertofg Tue, 2022-11-22 00:34 |
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different relaxed energy scores for one same protein structure by ivareve125 » Sun, 2023-07-16 17:54 |
2 |
605 |
by ivareve125 Mon, 2023-07-17 17:37 |
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What should I do to lower down the fa_sol scores? by JasonIsaac » Mon, 2022-12-05 18:57 |
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606 |
by JasonIsaac Mon, 2022-12-05 18:57 |
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rosetta scripts to superimpose multiple segments by rlwoltz » Fri, 2022-04-29 15:15 |
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617 |
by rlwoltz Fri, 2022-04-29 15:15 |
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Grafting using antibody.mpi.linuxgccrelease , the modelled structure does not have constant region of the antibody. by SubhaK » Thu, 2023-01-26 21:29 |
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618 |
by rmoretti Mon, 2023-02-06 14:35 |
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ERROR: Assertion `build_sets_[ build_set_id ].restype().has( "1HA" )` failed. ERROR:: Exit from: src/protocols/match/upstream/Pr by alove1 » Sat, 2023-10-28 17:19 |
3 |
627 |
by alove1 Mon, 2023-10-30 13:18 |
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Method for adding residues into PDB's w/ RosettaScripts. by Wexter300 » Wed, 2023-03-15 13:07 |
1 |
636 |
by rmoretti Thu, 2023-03-16 11:46 |
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Design strategy - One chain at a time OR two chains together? by tlopes » Wed, 2022-01-05 18:19 |
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647 |
by tlopes Wed, 2022-01-05 18:19 |
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Unexpected length of light chain FR1 by mgupta » Fri, 2022-12-09 01:03 |
0 |
656 |
by mgupta Fri, 2022-12-09 01:03 |
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Error when trying to use xml script to design PDB by Wexter300 » Fri, 2023-02-24 13:29 |
1 |
665 |
by rmoretti Fri, 2023-02-24 13:58 |
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Structure Prediction of protein mutant using relax by Delfosse57 » Tue, 2023-01-10 13:26 |
1 |
675 |
by JW_24 Tue, 2023-01-24 04:55 |
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SnugDock or RosettaDock for HDX-MS data by hanzhiz » Thu, 2021-12-16 09:18 |
0 |
683 |
by hanzhiz Thu, 2021-12-16 09:18 |
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Error when using rna_denovo in TACC stampede2 HPC by lsong2 » Thu, 2021-11-18 10:31 |
0 |
686 |
by lsong2 Thu, 2021-11-18 10:31 |
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Help with file in article Kemp elimination catalysts by computational enzyme design by Wenithor » Sat, 2021-10-09 07:23 |
0 |
690 |
by Wenithor Sat, 2021-10-09 07:23 |
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mpi_MSD for antibody design by hanzhiz » Thu, 2021-12-16 09:32 |
0 |
707 |
by hanzhiz Thu, 2021-12-16 09:32 |
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Converting all residues to poly-Gly/Ala by jtpi6174 » Tue, 2023-05-09 14:14 |
2 |
709 |
by jtpi6174 Tue, 2023-05-09 15:51 |
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protein binder interface design error by guowuchen » Thu, 2022-06-23 04:43 |
0 |
710 |
by guowuchen Thu, 2022-06-23 04:43 |
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Calculating shape complementarity of ligand and protein by varunmc99 » Tue, 2023-01-17 11:29 |
1 |
713 |
by rmoretti Mon, 2023-02-06 14:42 |
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Sequence symmetry during FastDesign for repeat protein design by cttm4a1 » Tue, 2022-09-06 21:02 |
1 |
730 |
by rmoretti Wed, 2022-09-07 09:19 |
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core.pack.rotamer_set.RotamerSet_: (0) Using simple Rotamer generation logic for pdb_NAP by to-qinbin@163.com » Wed, 2022-09-14 06:06 |
1 |
730 |
by rmoretti Wed, 2022-09-14 09:14 |
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Truncating a protein using rosetta by Wexter300 » Mon, 2023-02-13 12:05 |
2 |
739 |
by Wexter300 Mon, 2023-02-13 13:04 |
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Unrecognized D-Leu name / C-terminal ACE by almeida85 » Thu, 2022-08-11 07:43 |
1 |
740 |
by almeida85 Fri, 2022-08-12 05:56 |
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Obtaining all PDB IDs containing similar binding sites for a specific ligand by Antonia » Wed, 2021-06-16 12:30 |
0 |
747 |
by Antonia Wed, 2021-06-16 12:30 |
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Obtain score during prediction by CameronJA » Mon, 2021-06-14 16:12 |
0 |
748 |
by CameronJA Mon, 2021-06-14 16:12 |
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mol2genparams.py script dependencies by dhirajks » Wed, 2022-06-08 16:46 |
1 |
750 |
by matteoferla Thu, 2022-06-09 14:41 |
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RMSD filter by Soler » Sat, 2022-01-15 22:09 |
0 |
750 |
by Soler Sat, 2022-01-15 22:09 |
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Multiple Relax runnings by mb0261 » Sat, 2022-08-27 05:42 |
1 |
757 |
by rmoretti Tue, 2022-09-06 08:22 |
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Flex-pep-docking (ab-initio mode) by ate » Wed, 2021-06-16 19:19 |
0 |
761 |
by ate Wed, 2021-06-16 19:19 |
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Generate template parameter file for a polymer by anarob » Fri, 2022-06-10 11:05 |
1 |
764 |
by matteoferla Fri, 2022-06-17 10:38 |
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