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Rosetta 3 - Applications
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Topic / Topic starter | Replies | Views | Last post | |
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docking with constraints and flexible bb by mintseris » Mon, 2015-06-22 09:07 |
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3,230 |
by mintseris Wed, 2015-06-24 22:04 |
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auto_setup_metals flag with loop modeling application fails by beowulfey » Wed, 2015-06-10 07:44 |
3 |
4,379 |
by beowulfey Tue, 2015-06-23 16:10 |
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Loop modeling: KIC with fragments producing unusual models by kamau » Mon, 2015-06-01 12:06 |
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2,322 |
by rmoretti Sat, 2015-06-20 20:07 |
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folding ectodomain in membrane ab initio by freedman » Mon, 2015-05-25 21:09 |
3 |
4,074 |
by rmoretti Fri, 2015-06-19 13:53 |
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Ensemble Docking in Rosetta3.5? by protos_heis » Fri, 2015-05-22 06:42 |
7 |
8,786 |
by protos_heis Mon, 2015-06-08 07:00 |
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Resfile as a input for InterfaceAnalyzer by palak8669 » Sun, 2015-06-07 21:46 |
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2,115 |
by smlewis Mon, 2015-06-08 06:35 |
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rotamer library in coupled_moves by mtyras » Fri, 2015-05-29 07:46 |
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3,891 |
by mtyras Mon, 2015-06-08 03:18 |
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Trouble enforcing a disulfide in loop building by chelsell » Sun, 2015-05-10 16:31 |
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3,806 |
by chelsell Wed, 2015-05-27 14:36 |
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Should I trust the score output from relax used with a protein complex? by cossio » Thu, 2015-05-07 06:08 |
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2,258 |
by rmoretti Mon, 2015-05-25 12:37 |
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Loopmodel with DNA has no energy score by Nicky_Learning_... » Sun, 2015-05-10 19:31 |
1 |
2,365 |
by rmoretti Mon, 2015-05-25 12:30 |
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SymDock with constraints by felipet » Thu, 2015-05-14 09:01 |
1 |
3,216 |
by rmoretti Mon, 2015-05-25 11:49 |
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loop modeling scoring by Nicky_Learning_... » Wed, 2015-05-13 20:00 |
1 |
2,803 |
by rmoretti Mon, 2015-05-25 11:30 |
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Error while reading in silent file by rweisse » Mon, 2015-04-20 00:31 |
4 |
5,692 |
by rmoretti Thu, 2015-04-30 16:46 |
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Failing Fragment libraries us Chemical shifts with Robettaa by kalabharath » Tue, 2015-04-28 19:33 |
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2,835 |
by kalabharath Wed, 2015-04-29 16:21 |
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Pepspec options by shaunmk » Mon, 2015-04-27 02:33 |
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1,697 |
by shaunmk Mon, 2015-04-27 02:33 |
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JobDistributor problem in antibody modeling by Wizard » Wed, 2015-04-22 00:35 |
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3,519 |
by Wizard Sun, 2015-04-26 22:36 |
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Enzdes: increase weight of energy term for steric clashes with ligand by eyong123 » Wed, 2015-03-25 09:12 |
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6,274 |
by rmoretti Fri, 2015-04-24 12:02 |
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Enzdes scorefile lost, can I recreate it by eyong123 » Wed, 2015-04-15 05:55 |
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2,812 |
by eyong123 Wed, 2015-04-22 11:33 |
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Can't append or prepend with pepspec by danzinho » Tue, 2015-03-31 01:19 |
3 |
4,022 |
by dswhit Tue, 2015-04-21 10:14 |
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ddg_monomer: what is the meaning of "total score" and "score"? by lanselibai » Tue, 2015-01-13 14:49 |
4 |
6,984 |
by rmoretti Thu, 2015-04-16 11:23 |
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Enzdes constraint file not defined correctly by eyong123 » Fri, 2015-03-27 07:16 |
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3,956 |
by rmoretti Thu, 2015-04-16 10:38 |
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Repeatability of DDG calculation by jennifer » Wed, 2015-04-08 05:29 |
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1,662 |
by jennifer Wed, 2015-04-08 05:29 |
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the ddg of mutant is same as the wt by deepanshuiitb » Wed, 2015-03-04 11:56 |
6 |
6,908 |
by jadolfbr Tue, 2015-04-07 10:50 |
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Conformers in EnzDes by JorickF » Fri, 2015-03-06 04:41 |
5 |
7,347 |
by rmoretti Tue, 2015-03-31 08:56 |
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Warning messages in Interface analyzer output by Pernille » Wed, 2015-03-25 00:53 |
4 |
4,707 |
by rmoretti Tue, 2015-03-31 08:20 |
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Total score problems with high-res ddg_monomer by jklesmith » Tue, 2015-03-10 15:54 |
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3,713 |
by jennifer Fri, 2015-03-27 05:56 |
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Design a peptide linked to small molecule ligand by shaunmk » Mon, 2015-03-02 09:05 |
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2,633 |
by rmoretti Wed, 2015-03-25 12:39 |
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References where Rosetta is used to compute ddG of binding after mutation? by cossio » Tue, 2015-03-17 05:13 |
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3,012 |
by rmoretti Wed, 2015-03-25 11:33 |
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Calculate_protein_protein_ddg by kamau » Fri, 2015-01-30 11:27 |
2 |
3,110 |
by deepanshuiitb Thu, 2015-03-19 19:14 |
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Floppy tail: sidechain mutation during calculation by syoifczeri » Mon, 2015-03-09 19:01 |
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3,223 |
by syoifczeri Tue, 2015-03-10 23:08 |
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ddg_monomer: How the ddG is actually calculated based on the 50 trajectories? What scorefunction is used? by lanselibai » Tue, 2015-02-24 02:38 |
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6,493 |
by lanselibai Sun, 2015-03-01 15:00 |
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Filter ddg_filter reports failure! by deepanshuiitb » Fri, 2015-02-27 18:19 |
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3,133 |
by deepanshuiitb Sat, 2015-02-28 19:24 |
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Executing the clean_pdb.py script by Rkfoury » Fri, 2015-02-20 10:16 |
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3,944 |
by lanselibai Tue, 2015-02-24 02:36 |
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Pmut_scan with symmetry by felipet » Thu, 2015-02-05 08:53 |
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6,035 |
by felipet Wed, 2015-02-11 05:13 |
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Output structures from docking_prepack_protocol: initial__*.pdb vs prepack__*.pdb, which one should I send to docking_protocol? by cossio » Thu, 2015-02-05 07:10 |
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2,391 |
by rmoretti Mon, 2015-02-09 12:33 |
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Is there a way to restrict memory usage of ddg_monomer? by cossio » Fri, 2015-01-30 14:35 |
5 |
5,369 |
by rmoretti Mon, 2015-02-09 12:04 |
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minirosetta: how to reserve (inter-chain) disulfides after relax ? by lanselibai » Sat, 2015-01-24 10:56 |
0 |
2,309 |
by lanselibai Thu, 2015-01-29 00:50 |
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Ab initio with multiple metal ions by cheyuk » Sun, 2013-12-29 17:58 |
19 |
20,933 |
by masterofpuppets Tue, 2015-01-27 04:26 |
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extract_pdbs fails to open silent file when -auto_setup_metals enabled by attesor » Thu, 2015-01-15 03:22 |
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5,153 |
by attesor Tue, 2015-01-27 02:20 |
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Relax with a ligand is messing up the coordinates of the ligand by brspurri » Sat, 2015-01-24 12:39 |
1 |
2,990 |
by rmoretti Mon, 2015-01-26 12:15 |
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How to build disulfide bond between two cysteine, i.e. change two "-SH" (sulfydryl) into "-S-S-"? by lanselibai » Sat, 2015-01-17 11:19 |
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3,223 |
by lanselibai Wed, 2015-01-21 02:40 |
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Reproduce Robetta's ddg values of interface alanine scan using Rosetta? by cossio » Mon, 2015-01-19 07:14 |
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2,789 |
by cossio Mon, 2015-01-19 07:14 |
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How to output all iteration structures from ddg_monomer? by cossio » Fri, 2014-12-26 13:40 |
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5,040 |
by cossio Mon, 2015-01-19 07:10 |
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FloppyTail as a rosettascripts file by tiagogomes89 » Mon, 2015-01-19 02:45 |
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1,453 |
by tiagogomes89 Mon, 2015-01-19 02:45 |
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remodel: what are the exact meanings of notations for secondary structure? by lanselibai » Sat, 2015-01-17 04:53 |
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1,551 |
by lanselibai Sat, 2015-01-17 07:57 |
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Does relax.linuxgccrelease fully relax the structure compared to ddg_monomer.linuxgccrelease? by lanselibai » Thu, 2015-01-08 03:23 |
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3,744 |
by lanselibai Tue, 2015-01-13 14:25 |
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ddg_monomer with -ddg::local_opt_only true, will it affect other chains that are close? by cossio » Fri, 2014-12-26 13:11 |
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2,185 |
by rmoretti Tue, 2015-01-13 07:44 |
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ddg_monomer: if MPI executable is reproducible and efficient? by lanselibai » Sun, 2015-01-11 09:48 |
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1,694 |
by lanselibai Sun, 2015-01-11 10:50 |
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"ddg_monomer.linuxgccrelease" by following "High Resolution Protocol" by lanselibai » Wed, 2014-10-01 09:54 |
7 |
11,082 |
by lanselibai Sat, 2015-01-03 08:18 |
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Segmentation fault when running Abinito Relax by Hongtham » Mon, 2014-12-15 07:16 |
1 |
3,237 |
by rmoretti Fri, 2015-01-02 11:45 |
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score application by Hongtham » Tue, 2014-12-23 06:38 |
1 |
2,105 |
by rmoretti Fri, 2015-01-02 11:06 |
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Docking with constraint by Hongtham » Sat, 2014-12-27 09:56 |
2 |
2,922 |
by rmoretti Fri, 2015-01-02 09:43 |
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algebric library for rosetta by yigallah » Mon, 2014-12-15 08:46 |
0 |
1,462 |
by yigallah Mon, 2014-12-15 08:46 |
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csrosetta.org login by jfeuva » Tue, 2014-12-09 14:49 |
0 |
24,458 |
by jfeuva Tue, 2014-12-09 14:49 |
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Checkpoint with rosetta3.4 by AmelieH » Mon, 2014-12-01 15:51 |
1 |
2,728 |
by rmoretti Wed, 2014-12-03 19:07 |
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crazy loopmodel: linear output pdbs by fred » Wed, 2014-12-03 12:27 |
0 |
1,442 |
by fred Wed, 2014-12-03 12:28 |
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Syntax for relax.linuxgccrelease by lanselibai » Wed, 2014-09-24 04:34 |
18 |
25,041 |
by lanselibai Tue, 2014-12-02 09:46 |
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If "clustering.py" can be used for PDBs contain two chains? by lanselibai » Wed, 2014-11-05 06:05 |
7 |
7,367 |
by lanselibai Tue, 2014-12-02 09:43 |
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Error encountered during Rosetta loop modeling by max » Tue, 2014-11-25 02:17 |
3 |
3,964 |
by max Thu, 2014-11-27 02:56 |
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Instructing design scripts to use noncanonical AA instead of canonical by zcrook » Tue, 2014-11-25 10:43 |
1 |
2,206 |
by rmoretti Wed, 2014-11-26 07:51 |
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Disulfide prediction from primary sequence by zcrook » Wed, 2014-11-12 14:44 |
2 |
5,158 |
by zcrook Tue, 2014-11-25 10:27 |
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Antibody protocol: unusual antibodies, and chainbreaks by Cyril Cros » Mon, 2014-07-21 17:03 |
5 |
6,475 |
by Cyril Cros Tue, 2014-11-25 08:21 |
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Steric clashes in RNA minimization by brianmlee » Tue, 2014-11-18 18:29 |
5 |
6,321 |
by brianmlee Mon, 2014-11-24 19:40 |
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scoring of beta sandwich protein by attesor » Mon, 2014-11-17 08:24 |
6 |
6,271 |
by rmoretti Thu, 2014-11-20 10:46 |
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Syntax for python-based (.py) command line on cluster by lanselibai » Fri, 2014-11-14 09:32 |
2 |
5,237 |
by lanselibai Thu, 2014-11-20 02:15 |
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Docking flags by AmelieH » Thu, 2014-11-13 08:46 |
5 |
5,511 |
by AmelieH Wed, 2014-11-19 11:26 |
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Symmetry-aware Backrub? by gamacy » Fri, 2014-11-14 02:18 |
1 |
2,277 |
by rmoretti Tue, 2014-11-18 09:10 |
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How can I prevent coordinates shift when using "loopmodel.linuxgccrelease"? by lanselibai » Tue, 2014-11-04 14:56 |
7 |
7,984 |
by lanselibai Wed, 2014-11-12 11:17 |
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Rotamers used in fixbb by lanselibai » Thu, 2014-11-06 02:47 |
6 |
6,319 |
by lanselibai Tue, 2014-11-11 15:28 |
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Got error when running minirosetta.linuxgccrelease on cluster but fine on Ubuntu by lanselibai » Mon, 2014-11-10 08:12 |
2 |
3,008 |
by lanselibai Tue, 2014-11-11 04:42 |
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loop_length_changing by lanselibai » Tue, 2014-10-14 04:10 |
14 |
14,225 |
by lanselibai Fri, 2014-11-07 02:06 |
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latest version of rosetta unable to build models by pramod » Mon, 2014-11-03 11:31 |
1 |
2,954 |
by rmoretti Tue, 2014-11-04 10:33 |
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Abinitio Relax Error from -kill_hairpins by attesor » Tue, 2014-10-28 05:33 |
7 |
7,812 |
by rmoretti Tue, 2014-11-04 10:28 |
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"Segmentation fault" for "minirosetta.linuxgccrelease" by lanselibai » Tue, 2014-11-04 03:17 |
1 |
2,910 |
by rmoretti Tue, 2014-11-04 08:53 |
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suppress pdb output from backrub by attesor » Mon, 2014-10-27 11:16 |
7 |
7,410 |
by rmoretti Mon, 2014-11-03 15:47 |
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Can I assume the outputs from different runs are from a same batch? by lanselibai » Mon, 2014-11-03 06:34 |
4 |
4,872 |
by lanselibai Mon, 2014-11-03 13:15 |
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Ligand docking: ERROR: set_atom_base: atoms must be bonded! by mengzhang » Mon, 2014-05-12 12:36 |
1 |
3,074 |
by jharamesh Mon, 2014-11-03 12:50 |
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Adding 'virtual' residues for N- and C-terminal optimisation by Derek Smith » Thu, 2014-08-14 23:18 |
1 |
2,407 |
by jadolfbr Fri, 2014-10-31 09:00 |
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Script for loop modeling: how to define loop sequence by batch2k » Thu, 2014-10-30 12:58 |
1 |
2,331 |
by jadolfbr Fri, 2014-10-31 08:45 |
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problem with modelling of protein (140 and 150 residues respectively) by krlitros87 » Wed, 2014-10-22 09:39 |
1 |
2,220 |
by rmoretti Thu, 2014-10-23 13:55 |
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Syntax for the alignment file in "minirosetta comparative modeling" by lanselibai » Thu, 2014-10-16 15:29 |
3 |
4,683 |
by lanselibai Thu, 2014-10-23 03:26 |
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ab initio modelling - what to do next? by krlitros87 » Thu, 2014-10-16 13:05 |
2 |
3,479 |
by krlitros87 Wed, 2014-10-22 09:31 |
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Snugdock+ensembledock usage by Anouk » Mon, 2014-09-22 08:09 |
1 |
3,193 |
by jadolfbr Mon, 2014-10-20 13:42 |
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What are "-nstruct" and "cluster_histogram.txt" for "clustering.py"? by lanselibai » Fri, 2014-10-17 06:06 |
3 |
21,174 |
by rmoretti Fri, 2014-10-17 10:17 |
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"OSError: [Errno 2]” in “clustering.py” by lanselibai » Sat, 2014-10-11 14:30 |
4 |
7,574 |
by lanselibai Fri, 2014-10-17 05:10 |
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How to eliminate "NUL"s when scoring PDBs? by lanselibai » Tue, 2014-10-14 10:04 |
2 |
3,104 |
by lanselibai Fri, 2014-10-17 03:36 |
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How to only constructure the tail conformation when using "FloppyTail.linuxgccrelease"? by lanselibai » Mon, 2014-10-13 10:26 |
5 |
5,749 |
by lanselibai Wed, 2014-10-15 03:52 |
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"score vs RMSD plots" & "cluster models" by lanselibai » Thu, 2014-09-25 06:51 |
12 |
25,278 |
by lanselibai Wed, 2014-10-15 01:54 |
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Use "loopmodel.linuxgccrelease" CCD to build missing residue positions by lanselibai » Sun, 2014-10-12 09:00 |
2 |
3,595 |
by lanselibai Mon, 2014-10-13 10:10 |
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Membrane homology modeling loop building gives very strange outputs by chelsell » Tue, 2014-09-30 14:46 |
2 |
3,308 |
by chelsell Wed, 2014-10-08 12:25 |
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residues_patch_selectors CENTROID_HA by Pernille » Fri, 2014-10-03 03:53 |
2 |
3,119 |
by Pernille Wed, 2014-10-08 10:41 |
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Abinitio.relax problem on centos by krlitros87 » Wed, 2014-09-24 11:27 |
4 |
5,961 |
by jadolfbr Tue, 2014-10-07 16:05 |
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Questions for "modeling_instructions.pdf" in "Homology or Loop Modelling" by lanselibai » Sun, 2014-09-21 09:02 |
10 |
11,114 |
by lanselibai Tue, 2014-10-07 02:58 |
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clustering by ays » Tue, 2014-09-30 08:26 |
2 |
3,414 |
by rmoretti Mon, 2014-10-06 16:00 |
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How to sort a Silent File based on RMSD by JadAbbass » Sun, 2013-08-04 14:40 |
2 |
3,666 |
by lanselibai Mon, 2014-10-06 15:30 |
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Missing "Bio.PDB" module when running "remove_loop_coords.py" by lanselibai » Mon, 2014-09-29 04:34 |
6 |
10,463 |
by lanselibai Wed, 2014-10-01 02:13 |
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flexpepdock_score_only by ays » Sun, 2014-09-21 06:17 |
2 |
2,770 |
by ays Tue, 2014-09-30 08:31 |
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Syntax to build a silent file by lanselibai » Fri, 2014-09-26 09:13 |
8 |
10,224 |
by lanselibai Tue, 2014-09-30 03:45 |
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Some wrong with the flag "-l" for score_jd2.linuxgccrelease by lanselibai » Mon, 2014-09-29 02:29 |
2 |
4,404 |
by lanselibai Tue, 2014-09-30 02:28 |
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Failed glycine check when running RosettaRemodel to build disulfide by cheyuk » Fri, 2014-06-27 02:31 |
1 |
2,240 |
by everyday847 Sun, 2014-09-28 21:16 |
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