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Topic / Topic starter | Replies | Views | Last post | |
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Error with simple_cycpep_predict protocol while using a native pdb file by Florent Langenfeld » Tue, 2019-03-26 10:05 |
3 |
2,503 |
by Florent Langenfeld Tue, 2020-09-22 03:03 |
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RosettaRemodel gives no increased output when setting higher -num_trajectory by JW_24 » Tue, 2020-09-22 11:49 |
2 |
1,623 |
by JW_24 Wed, 2020-09-23 01:27 |
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I used mpirun/mpiexec and it runs same job 32times by leygkn » Mon, 2020-09-21 00:53 |
6 |
4,185 |
by jadolfbr Thu, 2020-09-24 10:04 |
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loop modelling on complex structure by Tianyang89 » Fri, 2020-09-18 07:24 |
1 |
1,318 |
by amelie.stein Mon, 2020-09-28 10:41 |
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analyzing the protein protein docking without native structure by rohi » Sun, 2020-10-11 20:42 |
2 |
1,725 |
by rohi Tue, 2020-10-13 09:15 |
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Score function: unable to open input_files/1qys.pdb by Cyrrusm » Tue, 2020-10-13 11:35 |
1 |
1,396 |
by rmoretti Tue, 2020-10-13 11:40 |
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using full atom constraint in docking by rohi » Thu, 2020-10-15 10:28 |
0 |
1,030 |
by rohi Thu, 2020-10-15 10:28 |
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Extracting PDBs from a Silent file: "Can't find residue type for ARG" by avsrivatsa » Sat, 2020-10-17 16:20 |
2 |
1,779 |
by avsrivatsa Mon, 2020-10-19 18:16 |
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Comparatively modelled chains are far apart in final structure while the template pdb has all chains in a close-knit complex by Sunidhi » Sun, 2020-11-01 11:00 |
0 |
906 |
by Sunidhi Sun, 2020-11-01 11:01 |
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Problems with Cterm_amidation.txt by helenah » Thu, 2020-10-08 04:52 |
8 |
5,040 |
by helenah Tue, 2020-11-03 04:33 |
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Chain specific flags by helenah » Mon, 2020-10-19 03:31 |
5 |
3,018 |
by rmoretti Fri, 2020-11-06 08:04 |
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Error on rna_denovo_setup.py by zahra_AZ » Mon, 2020-11-09 02:23 |
0 |
1,016 |
by zahra_AZ Mon, 2020-11-09 02:23 |
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error in ligand docking by rohi » Fri, 2020-11-13 10:52 |
1 |
1,891 |
by rmoretti Fri, 2020-11-13 12:58 |
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De novo backbone trace from fragments by Victor Tobiasson » Tue, 2020-12-22 06:34 |
2 |
1,949 |
by Victor Tobiasson Tue, 2020-12-22 09:18 |
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contribution of interface residues in binding energy by rohi » Wed, 2021-01-20 07:33 |
1 |
1,208 |
by rmoretti Wed, 2021-01-20 07:39 |
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Issues with angle Constraints during Docking by LeonhardJS » Thu, 2021-01-28 04:40 |
2 |
1,712 |
by LeonhardJS Fri, 2021-01-29 01:12 |
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rna_denovo secstruct_general function by rvandamme » Mon, 2021-02-01 13:39 |
0 |
870 |
by rvandamme Mon, 2021-02-01 13:39 |
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There is a problem executing “rosetta_scripts.static.linuxgccrelease ” by zjya » Tue, 2021-02-02 23:44 |
1 |
1,627 |
by rmoretti Wed, 2021-02-03 14:45 |
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Can I compare binding affinity of different ligands using Rosetta? by zg148119@ohio.edu » Sun, 2020-12-06 11:30 |
4 |
3,247 |
by nannemdp Fri, 2021-02-05 06:49 |
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Segfault with docking protocol by almeida85 » Mon, 2021-02-08 06:39 |
2 |
1,435 |
by almeida85 Mon, 2021-02-08 09:50 |
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Problem with protein and ligand preparation before ligand docking. by zg148119@ohio.edu » Fri, 2021-02-05 06:47 |
3 |
2,907 |
by rmoretti Tue, 2021-02-09 09:22 |
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computing Pnear for Rosetta ligand docking by rohi » Mon, 2021-02-01 08:27 |
1 |
1,568 |
by rmoretti Tue, 2021-02-09 09:37 |
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Help - Protein-Protein interface design by Dinesh Kumar » Thu, 2021-01-28 00:47 |
1 |
1,084 |
by rmoretti Tue, 2021-02-09 10:29 |
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dealing with Large ligand in Ligand docking and enzyme design by rohi » Mon, 2021-01-04 09:58 |
1 |
1,211 |
by rmoretti Tue, 2021-02-09 10:48 |
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enzyme design implementation by rohi » Wed, 2020-12-16 09:54 |
1 |
1,350 |
by rmoretti Tue, 2021-02-09 11:30 |
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Rotamer Library Generation in Rosetta3 by jcminerlanl » Wed, 2016-11-30 07:34 |
5 |
5,908 |
by rmoretti Tue, 2021-02-09 11:52 |
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constraint are not imposed during protein-ligand docking by rohi » Wed, 2020-12-02 11:28 |
1 |
1,395 |
by rmoretti Tue, 2021-02-09 12:02 |
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clustering ligand binding mood by ligand RMSD by rohi » Tue, 2021-01-26 21:11 |
1 |
1,458 |
by brownbp1 Tue, 2021-02-09 12:12 |
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error running "helix_preassemble_setup.py" by zahra_AZ » Tue, 2020-11-03 01:54 |
1 |
1,424 |
by rmoretti Tue, 2021-02-09 12:19 |
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protein design for increasing its affinity towards ligand by rohi » Fri, 2020-10-30 11:33 |
1 |
1,362 |
by rmoretti Tue, 2021-02-09 12:25 |
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Help with filtering (Rosetta scripts) by wentlewi » Sat, 2020-10-24 10:12 |
1 |
1,367 |
by rmoretti Tue, 2021-02-09 12:35 |
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running Rosetta with MPI by rohi » Sat, 2020-09-05 16:06 |
1 |
1,530 |
by rmoretti Tue, 2021-02-09 13:44 |
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multi state protein design by rohi » Fri, 2020-09-04 08:14 |
2 |
1,908 |
by rmoretti Tue, 2021-02-09 13:45 |
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Fragment Picker score type weights by wellsm10 » Mon, 2020-12-14 13:05 |
1 |
1,423 |
by dgront Thu, 2021-02-11 08:30 |
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Remodel and the depracated EMPTY NC by matteoferla » Fri, 2021-02-26 07:12 |
0 |
1,054 |
by matteoferla Fri, 2021-02-26 07:12 |
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ERROR: Not complementary at positions by szcshr123 » Fri, 2021-02-26 05:58 |
2 |
1,860 |
by szcshr123 Fri, 2021-02-26 14:41 |
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How to export high energy state pdb out of backrub? by whiteqiu » Mon, 2021-03-01 18:32 |
0 |
813 |
by whiteqiu Mon, 2021-03-01 18:32 |
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Running RosettaScripts, but got an error "src/utility/options/OptionCollection.cc, line 1153, No values of the appropriate type" by zhoubin » Sun, 2021-02-28 08:51 |
3 |
2,086 |
by zhoubin Mon, 2021-03-01 22:11 |
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Ab Initio Modelling of Protein with Small-Molecule Cofactor by jurkm » Thu, 2011-03-10 06:56 |
14 |
16,098 |
by jseco Mon, 2021-03-08 03:46 |
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Recommendations for CoupledMoves enzyme redesign by dgm3 » Thu, 2021-03-04 10:53 |
1 |
1,315 |
by aloshbau Tue, 2021-03-09 02:47 |
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Rosetta and design of ligand binding site by rohi » Mon, 2021-03-15 06:00 |
0 |
944 |
by rohi Mon, 2021-03-15 06:31 |
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small molecule charge generated by molfile_to_params.py by rohi » Wed, 2021-03-17 09:35 |
3 |
1,900 |
by rmoretti Wed, 2021-03-17 13:52 |
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Suppress printing to STDOUT for applications by tylerborrman » Tue, 2015-11-24 11:37 |
5 |
5,563 |
by code_Monkey Thu, 2021-03-18 08:03 |
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I Need Help on Validation for a Ligand Docking Experiment. by tbelec » Sat, 2021-03-20 13:27 |
1 |
1,614 |
by matteoferla Mon, 2021-03-22 08:29 |
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MPI optimization on TACC stampede2 HPC by rlwoltz » Tue, 2021-03-16 18:07 |
2 |
1,989 |
by rlwoltz Wed, 2021-03-24 22:36 |
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de novo protein prediction by pci112 » Tue, 2021-03-23 10:13 |
2 |
1,535 |
by pci112 Thu, 2021-03-25 01:44 |
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Chain name being read as residue by MarkusAurelius » Mon, 2021-03-22 11:19 |
2 |
1,384 |
by MarkusAurelius Mon, 2021-03-29 09:06 |
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de novo RNA loop by c.ocasion » Sun, 2021-02-14 18:34 |
5 |
2,760 |
by everyday847 Mon, 2021-03-29 20:19 |
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Show I be using beta_nov16 scorefxn? by matteoferla » Thu, 2021-04-01 04:06 |
0 |
1,186 |
by matteoferla Thu, 2021-04-01 04:06 |
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clean_pdb.py by duz » Wed, 2021-03-24 13:36 |
2 |
2,259 |
by duz Thu, 2021-04-01 09:34 |
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params file for beta-amino acids by phonez » Mon, 2021-03-29 18:30 |
4 |
2,555 |
by everyday847 Thu, 2021-04-01 11:59 |
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Ligand being read as part of protein structure by MarkusAurelius » Thu, 2021-04-01 11:00 |
2 |
1,645 |
by MarkusAurelius Fri, 2021-04-02 11:44 |
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Sequence Profile/Checkpoint file by ojmel » Fri, 2021-04-02 17:29 |
1 |
1,246 |
by taylorjones Mon, 2021-04-05 13:17 |
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ab initio structure modeling by pci112 » Mon, 2021-04-12 08:07 |
0 |
905 |
by pci112 Mon, 2021-04-12 08:12 |
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opencl support programs by x_wuxi » Mon, 2021-04-12 18:17 |
1 |
1,299 |
by rmoretti Tue, 2021-04-13 06:42 |
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Clustering problem by Suuo » Tue, 2021-04-20 01:40 |
1 |
1,181 |
by rmoretti Tue, 2021-04-20 13:06 |
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Speeding up FastDesign by ebetica0 » Wed, 2021-04-28 13:08 |
1 |
1,482 |
by vmulligan Wed, 2021-04-28 14:20 |
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Using NCAA by ate » Sat, 2021-05-01 02:22 |
0 |
886 |
by ate Sat, 2021-05-01 02:22 |
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Using NCAA by ate » Sat, 2021-05-01 02:52 |
0 |
953 |
by ate Sat, 2021-05-01 02:52 |
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Calibur not listing cluster members by Swillard » Sun, 2018-07-01 13:07 |
2 |
2,370 |
by benhardy Fri, 2021-05-07 07:22 |
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Rotate chain by Germanico » Sun, 2021-05-09 16:36 |
3 |
2,022 |
by danpf Mon, 2021-05-10 10:04 |
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Rosetta Double changing mmCIF chain ID by Victor Tobiasson » Thu, 2021-05-13 07:57 |
2 |
1,494 |
by Victor Tobiasson Thu, 2021-05-13 08:33 |
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Meaning of Metalbinding_constraint by Corvin » Wed, 2021-05-19 07:54 |
0 |
852 |
by Corvin Wed, 2021-05-19 07:54 |
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partial charge of params file in ligand docking by rohi » Fri, 2021-05-28 08:43 |
1 |
1,448 |
by rmoretti Fri, 2021-05-28 08:54 |
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FastRelax Mover with symmetry, ligand and membrane by Michele.Bonus » Wed, 2021-05-26 04:43 |
1 |
1,538 |
by matteoferla Thu, 2021-06-03 08:24 |
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Segmentation fault on antibody structure prediction by dkesar » Fri, 2021-06-04 19:09 |
0 |
762 |
by dkesar Fri, 2021-06-04 19:09 |
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parameter file of GLU protonated (GLU_P1.params) by rohi » Sat, 2021-06-05 20:44 |
1 |
1,115 |
by nannemdp Sun, 2021-06-06 09:26 |
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Blast error for rosetta antibody: No argument value given for Query file by dngusdnr1 » Tue, 2021-06-08 17:32 |
1 |
1,071 |
by taylorjones Wed, 2021-06-09 16:30 |
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Obtain score during prediction by CameronJA » Mon, 2021-06-14 16:12 |
0 |
721 |
by CameronJA Mon, 2021-06-14 16:12 |
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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 |
716 |
by Antonia Wed, 2021-06-16 12:30 |
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Flex-pep-docking (ab-initio mode) by ate » Wed, 2021-06-16 19:19 |
0 |
733 |
by ate Wed, 2021-06-16 19:19 |
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adding NCAA to the N-terminal of RCSB pdb by ate » Tue, 2021-06-08 08:24 |
4 |
2,556 |
by Subhrodeep Saha Sat, 2021-06-19 07:17 |
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Internal error while running AbinitioRelax by Subhrodeep Saha » Sun, 2021-06-13 03:44 |
1 |
1,250 |
by rmoretti Wed, 2021-06-23 02:17 |
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RosettaCM: "Ligands must be added to all templates" by lanselibai » Tue, 2021-06-22 10:42 |
2 |
1,274 |
by lanselibai Wed, 2021-06-23 13:21 |
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How to provide multiple templates for Robetta with RosettaCM option? by lanselibai » Wed, 2021-06-23 14:06 |
1 |
1,002 |
by lanselibai Wed, 2021-06-23 14:53 |
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RosettaCM: threading okay, but hybridize loses many secondary structure by lanselibai » Wed, 2021-06-23 13:51 |
2 |
1,269 |
by lanselibai Thu, 2021-06-24 10:16 |
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Add a ligand with only one atom (i.e. Zn) to the RosettaCM by lanselibai » Tue, 2021-06-22 10:28 |
6 |
2,674 |
by rmoretti Thu, 2021-06-24 12:23 |
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enzyme design and scoring function by rohi » Fri, 2021-06-25 10:29 |
0 |
741 |
by rohi Fri, 2021-06-25 10:29 |
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Error using ddg_monomer application (Assertion `pose.residue(resnum).name1() == wt` failed) by sgaray » Thu, 2021-06-24 14:47 |
2 |
2,390 |
by sgaray Fri, 2021-06-25 11:26 |
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Differences between energy values reported in the tutorials and the ones obtained by running the code, what is normal? by ericlang » Mon, 2021-07-05 05:43 |
2 |
1,263 |
by ericlang Mon, 2021-07-05 06:59 |
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Why does the sum of the per-residue total energy not match the whole score? by matteoferla » Fri, 2021-07-09 08:36 |
2 |
1,583 |
by matteoferla Mon, 2021-07-12 02:23 |
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covalent ligand docking in Rosetta by rohi » Mon, 2021-06-07 06:39 |
12 |
11,440 |
by matteoferla Wed, 2021-07-14 04:03 |
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Scoring in Rosetta by Elijah_Hix » Wed, 2021-07-14 06:48 |
1 |
1,161 |
by rmoretti Wed, 2021-07-14 07:07 |
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Problem with match on enzdes by ahuls1 » Thu, 2021-07-29 13:21 |
1 |
1,185 |
by ahuls1 Thu, 2021-07-29 13:23 |
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Extracting a part of a silent file as another silent file by almeida85 » Wed, 2021-07-28 23:53 |
1 |
1,182 |
by zivben Sat, 2021-07-31 08:16 |
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calcium metal nomenclature: Rosetta_cm confusing HETATM CA (calcium) with ATOM CA (alpha-carbon) by rlwoltz » Tue, 2021-08-03 23:26 |
0 |
1,034 |
by rlwoltz Tue, 2021-08-03 23:26 |
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Better minimization with Rosetta by Elijah_Hix » Wed, 2021-07-28 13:53 |
1 |
1,125 |
by matteoferla Mon, 2021-08-09 01:53 |
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How can I use InterfaceScore terms in docking as GenericMonteCarlo criterion by wwwmrzkwww » Sun, 2021-08-15 00:19 |
0 |
796 |
by wwwmrzkwww Sun, 2021-08-15 00:19 |
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How to set start coordinates for ligand when doing protein_ligand docking by Huanhuan » Wed, 2021-08-18 21:09 |
3 |
1,799 |
by matteoferla Fri, 2021-08-20 08:37 |
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how does rosetta handle hydrogens? by patcD » Tue, 2021-08-31 00:48 |
2 |
1,403 |
by patcD Wed, 2021-09-01 06:54 |
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Explicit water by tsztain » Wed, 2021-08-25 05:54 |
1 |
1,352 |
by matteoferla Thu, 2021-09-02 03:50 |
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the question about ddg of disulfide bond mutants by asbelx » Sun, 2021-08-29 06:40 |
1 |
1,123 |
by asbelx Wed, 2021-09-08 23:19 |
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Error_fragment_generation by Payal Chatterjee » Fri, 2016-02-12 12:11 |
6 |
6,690 |
by G Mustafa Fri, 2021-09-10 01:16 |
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Error when running prepack of PLEXPEPDOCKING by phanvy » Wed, 2014-06-18 07:11 |
11 |
11,463 |
by G Mustafa Fri, 2021-09-10 08:20 |
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Rosetta Enzyme design cst block raises error by cryosky » Thu, 2021-09-16 08:47 |
1 |
1,210 |
by cryosky Fri, 2021-09-17 22:04 |
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pmut and scoring by ldlamini » Tue, 2021-09-14 00:46 |
3 |
2,062 |
by matteoferla Mon, 2021-09-20 06:05 |
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Help deciphering an input by Elijah_Hix » Wed, 2021-09-22 11:12 |
2 |
1,309 |
by Elijah_Hix Thu, 2021-09-23 10:13 |
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Enzyme design gets 0 hit by cryosky » Sun, 2021-09-26 13:24 |
0 |
795 |
by cryosky Sun, 2021-09-26 13:24 |
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Make_fragments.pl database by TiagoGomes » Tue, 2009-10-13 11:31 |
5 |
4,648 |
by matteoferla Wed, 2021-09-29 01:58 |
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problem plotting results from docking_analyser with provided Rscript by madammolecular » Mon, 2021-02-01 14:44 |
2 |
1,554 |
by amystevens Thu, 2021-09-30 14:18 |
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