User contributions for Deansalias

5 February 2018

• 17:3517:35, 5 February 2018 diff hist +12‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 2: Compose the CALC.cya
• 17:3417:34, 5 February 2018 diff hist +75‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Run the FLYA calculation
• 17:3317:33, 5 February 2018 diff hist +106‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Run the FLYA calculation
• 17:3017:30, 5 February 2018 diff hist +34‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 3: Run FLYA and analyze the results
• 17:2917:29, 5 February 2018 diff hist +151‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Run the FLYA calculation
• 17:2817:28, 5 February 2018 diff hist +416‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎The flya.pdf file
• 17:2017:20, 5 February 2018 diff hist +71‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 2: Compose the CALC.cya
• 17:1917:19, 5 February 2018 diff hist +115‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 17:1417:14, 5 February 2018 diff hist 0‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎The FLYA CALC script
• 17:1217:12, 5 February 2018 diff hist 0‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 17:1217:12, 5 February 2018 diff hist −5‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 17:1117:11, 5 February 2018 diff hist −1‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 17:1017:10, 5 February 2018 diff hist 0‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 17:1017:10, 5 February 2018 diff hist −36‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 17:0817:08, 5 February 2018 diff hist +22‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 17:0717:07, 5 February 2018 diff hist +287‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the appropriate spectrum type for HCCCHTOCSY
• 17:0317:03, 5 February 2018 diff hist +9‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 17:0017:00, 5 February 2018 diff hist +1‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 16:5616:56, 5 February 2018 diff hist +3‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 16:5416:54, 5 February 2018 diff hist −4‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 16:5416:54, 5 February 2018 diff hist +11‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 16:5016:50, 5 February 2018 diff hist +101‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Converting the SMILES code to mol2
• 15:5715:57, 5 February 2018 diff hist +43‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Experiment definitions in the CYANA library
• 15:4615:46, 5 February 2018 diff hist +6‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Creating the ligand library file for cyana
• 15:4415:44, 5 February 2018 diff hist +29‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Experimental input data
• 15:4415:44, 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
• 15:4215:42, 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
• 15:2515:25, 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
• 15:2515:25, 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
• 15:0715:07, 5 February 2018 diff hist +50‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 15:0315:03, 5 February 2018 diff hist 0‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Converting the SMILES code to mol2
• 15:0315:03, 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
• 15:0115:01, 5 February 2018 diff hist +375‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Converting the SMILES code to mol2
• 14:3914:39, 5 February 2018 diff hist +80‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Converting the SMILES code to mol2
• 14:3814:38, 5 February 2018 diff hist +104‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Converting the SMILES code to mol2
• 14:2714:27, 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
• 14:2714:27, 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
• 14:2414:24, 5 February 2018 diff hist +158‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 10:5810:58, 5 February 2018 diff hist +60‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎FLYA options
• 10:2410:24, 5 February 2018 diff hist +39‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Execution scripts or "macros" in cyana
• 10:2310:23, 5 February 2018 diff hist +3‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Experiment definitions in the CYANA library
• 10:2210:22, 5 February 2018 diff hist +13‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Experiment definitions in the CYANA library
• 10:2110:21, 5 February 2018 diff hist +113‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Experiment definitions in the CYANA library
• 10:2010:20, 5 February 2018 diff hist +6‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Experiment definitions in the CYANA library
• 10:1810:18, 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

• 12:5712:57, 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
• 12:4512:45, 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
• 12:4212:42, 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
• 12:3212:32, 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
• 12:3012:30, 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