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Rosetta 3 - General

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Normal topic What is virtual atom means in a params file and how to generate it?
by JasonIsaac » Fri, 2022-11-04 04:53
4
1,837 by JasonIsaac
Mon, 2022-11-07 19:15
Normal topic Error with sequence_tolerance.R processing the checkpoint files, *.ga.entities and *.ga.generations.
by He Xiao » Mon, 2022-11-07 03:41
0
601 by He Xiao
Mon, 2022-11-07 04:10
Normal topic total_score changes when decomposing bb hbonds ref2015
by Liviu Copoiu » Mon, 2022-10-31 15:40
2
994 by Liviu Copoiu
Mon, 2022-10-31 16:03
Normal topic Failure to produce a cst file
by biotech » Wed, 2022-10-26 11:17
0
607 by biotech
Wed, 2022-10-26 11:17
Normal topic On iterations in ddg_monomer
by Proteinmechanic » Fri, 2022-09-30 21:23
0
561 by Proteinmechanic
Fri, 2022-09-30 21:23
Normal topic Save silent results to individual directory by process ID
by Payne » Sat, 2022-09-24 05:23
3
1,243 by rmoretti
Thu, 2022-09-29 00:15
Normal topic Ensemble Docking with RosettaDock 4.0 Protocol
by mb0261 » Wed, 2022-07-27 07:00
1
1,240 by mb0261
Mon, 2022-09-26 07:50
Normal topic GeneralizedKIC side chain closure.
by almeida85 » Mon, 2022-09-19 06:13
0
646 by almeida85
Mon, 2022-09-19 07:22
Normal topic Rosettascript - change residue number and chain ID
by cttm4a1 » Wed, 2022-09-14 23:40
0
565 by cttm4a1
Wed, 2022-09-14 23:40
Normal topic 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
773 by rmoretti
Wed, 2022-09-14 09:14
Normal topic Residue outside res_map range
by to-qinbin@163.com » Sat, 2022-09-10 01:56
1
1,259 by rmoretti
Mon, 2022-09-12 07:01
Normal topic clean_pdb_keep_ligand.py IndexError
by to-qinbin@163.com » Sat, 2022-09-10 04:04
1
898 by rmoretti
Mon, 2022-09-12 06:58
Normal topic Proper indexing of grafted residues by CCDEndsGraftMover
by cttm4a1 » Wed, 2022-09-07 23:41
0
573 by cttm4a1
Wed, 2022-09-07 23:41
Normal topic Sequence symmetry during FastDesign for repeat protein design
by cttm4a1 » Tue, 2022-09-06 21:02
1
778 by rmoretti
Wed, 2022-09-07 09:19
Normal topic Multiple Relax runnings
by mb0261 » Sat, 2022-08-27 05:42
1
809 by rmoretti
Tue, 2022-09-06 08:22
Normal topic PDB weird to PDB rosetta friendly
by jpfuenzalidawx » Fri, 2022-09-02 04:43
1
913 by rmoretti
Tue, 2022-09-06 08:13
Normal topic Residue outside res_map range
by amcallister » Fri, 2022-04-22 11:26
1
1,001 by aneeqh
Fri, 2022-09-02 13:36
Normal topic Get fasta from PDB script correction - Solved
by ialvy » Tue, 2022-08-30 00:00
0
599 by ialvy
Tue, 2022-08-30 00:00
Normal topic Using specific rotamers
by sahn97 » Fri, 2022-08-26 13:45
1
823 by rmoretti
Fri, 2022-08-26 14:51
Normal topic GeneralizedKIC disulfide closure
by Ken » Tue, 2022-08-16 13:32
2
1,131 by Ken
Wed, 2022-08-17 08:04
Normal topic Designing Feasible Backbones
by csvajda » Sat, 2022-08-13 08:08
0
637 by csvajda
Sat, 2022-08-13 08:08
Normal topic Unrecognized D-Leu name / C-terminal ACE
by almeida85 » Thu, 2022-08-11 07:43
1
797 by almeida85
Fri, 2022-08-12 05:56
Normal topic ERROR: Unable to open weights/patch file
by almeida85 » Tue, 2022-08-09 05:33
2
1,175 by almeida85
Thu, 2022-08-11 00:32
Normal topic Repeated entries in silent file
by almeida85 » Fri, 2022-08-05 02:52
4
1,582 by almeida85
Thu, 2022-08-11 00:29
Normal topic Interface scores comparison
by NingNing » Tue, 2022-08-09 17:36
0
542 by NingNing
Tue, 2022-08-09 17:36
Normal topic Problems with ICOOR when generating polymer params file
by liuwenxi » Tue, 2022-08-09 08:33
0
584 by liuwenxi
Tue, 2022-08-09 08:33
Normal topic ERROR: Your compiler does not have full support for C++11 regex, and therefore can't support RegEx_based_CDR_Detector/antibody g
by yliang20 » Mon, 2022-08-08 16:59
1
1,107 by rmoretti
Tue, 2022-08-09 06:52
Normal topic Temperature
by mrosam » Mon, 2022-08-08 01:37
0
540 by mrosam
Mon, 2022-08-08 01:37
Normal topic Renumbering PDB
by jgustat » Wed, 2022-07-27 13:37
2
1,077 by jgustat
Thu, 2022-07-28 10:00
Normal topic Applying dihedral constraints to TRP dipeptide minimization. ACE/NME termni.
by reoverstreet » Mon, 2022-07-11 14:39
1
935 by matteoferla
Wed, 2022-07-20 10:33
Normal topic XML schema file taken from Rosie docking giving errors in Rosetta Scripts
by Delfosse57 » Mon, 2022-07-18 10:51
3
1,360 by rmoretti
Mon, 2022-07-18 11:56
Normal topic Porblem with Rosetta Homology Modelling
by Karthik » Wed, 2022-07-13 23:45
0
601 by Karthik
Wed, 2022-07-13 23:45
Normal topic RosettaDock-4.0 score term
by Zjq1998 » Wed, 2022-06-29 22:07
3
1,680 by ssrb
Tue, 2022-07-05 11:07
Normal topic RifGen error on rosetta, "assertion failed", please help!
by guowuchen » Thu, 2022-05-05 06:20
1
1,365 by sia
Tue, 2022-07-05 05:47
Normal topic Problem with undetected lower and upper terminus variants for new polymer
by Martin Floor » Sat, 2022-06-11 06:51
5
2,300 by matteoferla
Fri, 2022-07-01 13:49
Normal topic Output and Input Tutorial
by jgustat » Fri, 2022-07-01 13:07
2
1,115 by jgustat
Fri, 2022-07-01 13:26
Normal topic De Novo backbone generation vs Rosetta Match for enzdes and ligand binding.
by csvajda » Thu, 2022-06-30 09:55
2
1,070 by csvajda
Thu, 2022-06-30 16:26
Normal topic How to add new Movers to Rosetta
by mb0261 » Thu, 2022-06-30 10:48
0
573 by mb0261
Thu, 2022-06-30 10:48
Normal topic Problem with 'AddEncounterConstraintMover'
by mb0261 » Tue, 2022-06-28 10:00
1
902 by rmoretti
Tue, 2022-06-28 11:06
Normal topic Rosetta-foldtree and docking
by tingting » Tue, 2022-03-15 22:49
5
2,419 by aastha.pal
Mon, 2022-06-27 09:55
Normal topic Antigen-antibody modeling
by aastha.pal » Mon, 2022-06-27 09:34
0
591 by aastha.pal
Mon, 2022-06-27 09:34
Normal topic protein binder interface design error
by guowuchen » Thu, 2022-06-23 04:43
0
771 by guowuchen
Thu, 2022-06-23 04:43
Normal topic genkic mover produced an unwanted HN - CA bond
by cttm4a1 » Mon, 2022-06-20 14:25
2
1,079 by cttm4a1
Mon, 2022-06-20 16:58
Normal topic Generate template parameter file for a polymer
by anarob » Fri, 2022-06-10 11:05
1
814 by matteoferla
Fri, 2022-06-17 10:38
Normal topic RosettaDock-3.2 output
by Zjq1998 » Wed, 2022-06-15 23:54
0
549 by Zjq1998
Wed, 2022-06-15 23:54
Normal topic mol2genparams.py script dependencies
by dhirajks » Wed, 2022-06-08 16:46
1
818 by matteoferla
Thu, 2022-06-09 14:41
Normal topic score.sc only shows total_score and with all zeros
by johnnytam100 » Mon, 2022-06-06 20:04
2
1,059 by johnnytam100
Tue, 2022-06-07 19:18
Normal topic The hbond for REF2015
by asbelx » Mon, 2022-06-06 06:07
2
1,225 by asbelx
Mon, 2022-06-06 23:15
Normal topic Rosetta for design of artifical metalloenzyme
by Delfosse57 » Thu, 2022-05-19 21:47
1
984 by matteoferla
Fri, 2022-06-03 01:09
Normal topic RNA update library
by Anne Klein » Mon, 2022-05-16 16:04
2
1,178 by Anne Klein
Tue, 2022-05-24 21:38
Normal topic ShapeSimilarity, ElectrostaticSimilarity (RosettaSurf)
by Ken » Mon, 2022-05-23 07:16
1
835 by ajasja
Mon, 2022-05-23 07:19
Normal topic -ignore_unrecognized_res doesn't work
by e3lm » Fri, 2022-05-06 14:47
2
1,356 by e3lm
Fri, 2022-05-06 16:10
Normal topic rosetta scripts to superimpose multiple segments
by rlwoltz » Fri, 2022-04-29 15:15
0
695 by rlwoltz
Fri, 2022-04-29 15:15
Normal topic Question about remodelling
by tonycheng1688 » Mon, 2022-04-25 13:51
0
595 by tonycheng1688
Mon, 2022-04-25 13:51
Normal topic Differentiable Energy Function w/ Centroid Representation
by protein_fan » Sun, 2022-03-20 09:39
4
1,743 by protein_fan
Fri, 2022-04-15 17:41
Normal topic InterfaceDdGMover and ResfileReader
by asaf.farhi » Wed, 2022-04-13 15:05
0
872 by asaf.farhi
Wed, 2022-04-13 15:05
Normal topic Error: Start tag expected, '<' not found
by Isomerase » Wed, 2022-04-06 19:45
1
2,003 by rmoretti
Thu, 2022-04-07 07:51
Normal topic Weekly releases for commercial users?
by rjacak » Tue, 2022-03-22 07:48
2
1,321 by rjacak
Thu, 2022-03-31 10:53
Normal topic RifDock building error on Ubuntu 20.04,please help!
by guowuchen » Mon, 2022-03-28 03:53
2
1,950 by guowuchen
Wed, 2022-03-30 04:20
Normal topic protein location change during Docking protocol
by Hyun » Tue, 2022-03-29 19:53
0
545 by Hyun
Tue, 2022-03-29 19:53
Normal topic Ensemble file required for both partners with docking prepack protocol
by katherinemccoy » Tue, 2022-03-29 14:26
0
586 by katherinemccoy
Tue, 2022-03-29 14:26
Normal topic abinitio demo is not progressing - new install
by jtpi6174 » Thu, 2022-03-24 03:49
2
1,225 by jtpi6174
Thu, 2022-03-24 09:43
Normal topic score against rmsd plot of designs
by LanMei » Mon, 2022-03-21 22:46
2
1,238 by LanMei
Tue, 2022-03-22 20:45
Normal topic Rosetta (antibody_designer) performance
by Kihang _Youn » Wed, 2022-03-02 00:48
7
2,761 by Kihang _Youn
Thu, 2022-03-10 16:30
Normal topic Cannot Open Resfile
by csvajda » Fri, 2022-03-04 13:39
3
1,765 by csvajda
Mon, 2022-03-07 07:46
Normal topic Inconsistent scoring by "aa_composition" term
by chenna » Thu, 2022-02-24 03:00
1
953 by vmulligan
Thu, 2022-03-03 18:48
Normal topic I_sc
by Soler » Sat, 2022-02-12 00:16
1
1,168 by rmoretti
Fri, 2022-02-18 11:14
Normal topic Docking mover
by Soler » Sat, 2022-02-12 20:48
1
1,017 by jadolfbr
Sat, 2022-02-12 23:16
Normal topic C-term amidation
by tttt » Tue, 2021-03-02 07:46
4
3,110 by tatsiana.bylund
Mon, 2022-01-24 07:58
Normal topic Ineffective Constraints
by Sandy » Tue, 2017-09-05 19:36
2
2,442 by CameronJA
Wed, 2022-01-19 20:50
Normal topic RMSD filter
by Soler » Sat, 2022-01-15 22:09
0
809 by Soler
Sat, 2022-01-15 22:09
Normal topic pyrosetta.rosetta.core.pose.rna
by chenjief » Tue, 2021-11-23 07:03
3
1,969 by matteoferla
Mon, 2022-01-10 06:44
Normal topic Design strategy - One chain at a time OR two chains together?
by tlopes » Wed, 2022-01-05 18:19
0
680 by tlopes
Wed, 2022-01-05 18:19
Normal topic mpi_MSD for antibody design
by hanzhiz » Thu, 2021-12-16 09:32
0
745 by hanzhiz
Thu, 2021-12-16 09:32
Normal topic SnugDock or RosettaDock for HDX-MS data
by hanzhiz » Thu, 2021-12-16 09:18
0
712 by hanzhiz
Thu, 2021-12-16 09:18
Normal topic Global ligand docking with Rosetta script and PyRosetta
by tisozaki » Tue, 2021-12-14 17:16
0
800 by tisozaki
Tue, 2021-12-14 17:16
Normal topic Multi-metric enzyme docking with substrate
by Wang Zhe » Sat, 2021-11-20 04:41
1
1,156 by matteoferla
Mon, 2021-12-13 02:27
Normal topic Structural Similarity
by Soler » Mon, 2021-11-29 22:02
1
1,126 by rmoretti
Tue, 2021-11-30 07:41
Normal topic PIPER-FlexPepDock protocol file apply_ftresult.py missing
by diasmarieli » Thu, 2021-11-04 06:33
2
1,738 by diasmarieli
Fri, 2021-11-26 05:11
Normal topic ligand docking
by hong wei » Thu, 2021-11-18 05:01
2
1,424 by hong wei
Thu, 2021-11-25 02:46
Normal topic SecundaryStructure Filter
by Soler » Sat, 2021-11-20 23:41
0
809 by Soler
Sat, 2021-11-20 23:41
Normal topic Error when using rna_denovo in TACC stampede2 HPC
by lsong2 » Thu, 2021-11-18 10:31
0
720 by lsong2
Thu, 2021-11-18 10:31
Normal topic connecting pdb files
by Hyun » Wed, 2021-11-17 22:32
1
997 by ajasja
Thu, 2021-11-18 00:33
Normal topic Cterm_amidation
by G Mustafa » Wed, 2021-11-03 08:52
1
1,142 by gezmi
Sat, 2021-11-06 15:26
Normal topic Help with file in article Kemp elimination catalysts by computational enzyme design
by Wenithor » Sat, 2021-10-09 07:23
0
734 by Wenithor
Sat, 2021-10-09 07:23
Normal topic ref2015: approx. kcal/mol or actually kJ/mol?
by matteoferla » Thu, 2021-10-07 04:04
2
2,266 by matteoferla
Thu, 2021-10-07 09:31
Normal topic problem plotting results from docking_analyser with provided Rscript
by madammolecular » Mon, 2021-02-01 14:44
2
1,681 by amystevens
Thu, 2021-09-30 14:18
Normal topic Make_fragments.pl database
by TiagoGomes » Tue, 2009-10-13 11:31
5
4,912 by matteoferla
Wed, 2021-09-29 01:58
Normal topic Enzyme design gets 0 hit
by cryosky » Sun, 2021-09-26 13:24
0
849 by cryosky
Sun, 2021-09-26 13:24
Normal topic Help deciphering an input
by Elijah_Hix » Wed, 2021-09-22 11:12
2
1,427 by Elijah_Hix
Thu, 2021-09-23 10:13
Normal topic pmut and scoring
by ldlamini » Tue, 2021-09-14 00:46
3
2,285 by matteoferla
Mon, 2021-09-20 06:05
Normal topic Rosetta Enzyme design cst block raises error
by cryosky » Thu, 2021-09-16 08:47
1
1,324 by cryosky
Fri, 2021-09-17 22:04
Normal topic Error when running prepack of PLEXPEPDOCKING
by phanvy » Wed, 2014-06-18 07:11
11
11,857 by G Mustafa
Fri, 2021-09-10 08:20
Normal topic Error_fragment_generation
by Payal Chatterjee » Fri, 2016-02-12 12:11
6
7,619 by G Mustafa
Fri, 2021-09-10 01:16
Normal topic the question about ddg of disulfide bond mutants
by asbelx » Sun, 2021-08-29 06:40
1
1,201 by asbelx
Wed, 2021-09-08 23:19
Normal topic Explicit water
by tsztain » Wed, 2021-08-25 05:54
1
1,549 by matteoferla
Thu, 2021-09-02 03:50
Normal topic how does rosetta handle hydrogens?
by patcD » Tue, 2021-08-31 00:48
2
1,582 by patcD
Wed, 2021-09-01 06:54
Normal topic How to set start coordinates for ligand when doing protein_ligand docking
by Huanhuan » Wed, 2021-08-18 21:09
3
2,008 by matteoferla
Fri, 2021-08-20 08:37
Normal topic How can I use InterfaceScore terms in docking as GenericMonteCarlo criterion
by wwwmrzkwww » Sun, 2021-08-15 00:19
0
851 by wwwmrzkwww
Sun, 2021-08-15 00:19
Normal topic Better minimization with Rosetta
by Elijah_Hix » Wed, 2021-07-28 13:53
1
1,207 by matteoferla
Mon, 2021-08-09 01:53
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