User contributions for Deansalias

5 February 2018

• 18:3518:35, 5 February 2018 diff hist +12‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 2: Compose the CALC.cya
• 18:3418:34, 5 February 2018 diff hist +75‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Run the FLYA calculation
• 18:3318:33, 5 February 2018 diff hist +106‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Run the FLYA calculation
• 18:3018:30, 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
• 18:2918:29, 5 February 2018 diff hist +151‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Run the FLYA calculation
• 18:2818:28, 5 February 2018 diff hist +416‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎The flya.pdf file
• 18:2018:20, 5 February 2018 diff hist +71‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 2: Compose the CALC.cya
• 18:1918:19, 5 February 2018 diff hist +115‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 18:1418:14, 5 February 2018 diff hist 0‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎The FLYA CALC script
• 18:1218:12, 5 February 2018 diff hist 0‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 18:1218:12, 5 February 2018 diff hist −5‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 18:1118:11, 5 February 2018 diff hist −1‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 18:1018:10, 5 February 2018 diff hist 0‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 18:1018:10, 5 February 2018 diff hist −36‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 18:0818:08, 5 February 2018 diff hist +22‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Exercise 1: Determine the spectrum type
• 18:0718:07, 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
• 18:0318:03, 5 February 2018 diff hist +9‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 18:0018:00, 5 February 2018 diff hist +1‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 17:5617:56, 5 February 2018 diff hist +3‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 17:5417:54, 5 February 2018 diff hist −4‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 17:5417:54, 5 February 2018 diff hist +11‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎No edit summary
• 17:5017:50, 5 February 2018 diff hist +101‎ Automated calculation of a protein-ligand complex structure (AUREMN, Brazil 2018) ‎ →‎Converting the SMILES code to mol2
• 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