User contributions for Deansalias
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5 February 2018
- 16:5716:57, 5 February 2018 diff hist +43 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Experiment definitions in the CYANA library
- 16:4616:46, 5 February 2018 diff hist +6 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Creating the ligand library file for cyana
- 16:4416:44, 5 February 2018 diff hist +29 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Experimental input data
- 16:4416:44, 5 February 2018 diff hist +7 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Using regularize to attach missing atoms and normalize the structure
- 16:4216:42, 5 February 2018 diff hist +367 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Using regularize to attach missing atoms and normalize the structure
- 16:2516:25, 5 February 2018 diff hist −1 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Compareing the calculated NMR structure to an XRAY reference structure
- 16:2516:25, 5 February 2018 diff hist +671 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Compare the calculated NMR structure to an XRAY structure
- 16:0716:07, 5 February 2018 diff hist +50 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 16:0316:03, 5 February 2018 diff hist 0 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting the SMILES code to mol2
- 16:0316:03, 5 February 2018 diff hist +6 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Calculating the structure of the protein-ligand complex
- 16:0116:01, 5 February 2018 diff hist +375 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting the SMILES code to mol2
- 15:3915:39, 5 February 2018 diff hist +80 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting the SMILES code to mol2
- 15:3815:38, 5 February 2018 diff hist +104 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting the SMILES code to mol2
- 15:2715:27, 5 February 2018 diff hist +4 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting the mol2 file to a lib file for cyana
- 15:2715:27, 5 February 2018 diff hist +306 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Calculating the structure of the protein-ligand complex
- 15:2415:24, 5 February 2018 diff hist +158 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 11:5811:58, 5 February 2018 diff hist +60 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →FLYA options
- 11:2411:24, 5 February 2018 diff hist +39 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Execution scripts or "macros" in cyana
- 11:2311:23, 5 February 2018 diff hist +3 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Experiment definitions in the CYANA library
- 11:2211:22, 5 February 2018 diff hist +13 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Experiment definitions in the CYANA library
- 11:2111:21, 5 February 2018 diff hist +113 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Experiment definitions in the CYANA library
- 11:2011:20, 5 February 2018 diff hist +6 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Experiment definitions in the CYANA library
- 11:1811:18, 5 February 2018 diff hist +8 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Experiment definitions in the CYANA library
3 February 2018
- 13:5713:57, 3 February 2018 diff hist +159 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 13:4513:45, 3 February 2018 diff hist −5 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 13:4213:42, 3 February 2018 diff hist −38 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 13:3213:32, 3 February 2018 diff hist +11 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 13:3013:30, 3 February 2018 diff hist +93 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 13:2813:28, 3 February 2018 diff hist +411 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 13:1313:13, 3 February 2018 diff hist +2 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 13:1213:12, 3 February 2018 diff hist +541 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 12:5312:53, 3 February 2018 diff hist +41 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Creating a ligand mol2 file from scratch
- 12:5212:52, 3 February 2018 diff hist +30 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Converting th ligand mol2 to a lib file
- 12:5012:50, 3 February 2018 diff hist +3 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Creating a ligand mol2 file from scratch
- 12:4012:40, 3 February 2018 diff hist +5 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Creating a ligand mol2 file from scratch
- 12:3912:39, 3 February 2018 diff hist +5 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) →Creating a ligand mol2 file from scratch
- 12:3812:38, 3 February 2018 diff hist +113 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 12:3612:36, 3 February 2018 diff hist +11 Tutorials No edit summary
- 12:3512:35, 3 February 2018 diff hist −22 Tutorials No edit summary
2 February 2018
- 20:1320:13, 2 February 2018 diff hist +59 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 20:1220:12, 2 February 2018 diff hist −1 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 20:1120:11, 2 February 2018 diff hist +401 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 20:0920:09, 2 February 2018 diff hist +24 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 20:0720:07, 2 February 2018 diff hist −516 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 20:0520:05, 2 February 2018 diff hist +2 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 20:0420:04, 2 February 2018 diff hist +9 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 20:0320:03, 2 February 2018 diff hist −156 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 19:5819:58, 2 February 2018 diff hist −7 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 19:5619:56, 2 February 2018 diff hist −1,479 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary
- 19:5019:50, 2 February 2018 diff hist −17 Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) No edit summary