User contributions for Rstein
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15 May 2020
- 18:0718:07, 15 May 2020 diff hist −29 Matching Sphere Scan No edit summary
- 18:0518:05, 15 May 2020 diff hist +14 Matching Sphere Scan No edit summary
- 18:0418:04, 15 May 2020 diff hist +12 Matching Sphere Scan No edit summary
- 18:0318:03, 15 May 2020 diff hist −1 Matching Sphere Scan No edit summary
- 18:0318:03, 15 May 2020 diff hist +242 Matching Sphere Scan No edit summary
- 18:0018:00, 15 May 2020 diff hist +41 Matching Sphere Scan No edit summary
- 17:5817:58, 15 May 2020 diff hist +52 Matching Sphere Scan No edit summary
- 17:5717:57, 15 May 2020 diff hist −1 Matching Sphere Scan No edit summary
- 17:5717:57, 15 May 2020 diff hist +511 Matching Sphere Scan No edit summary
- 17:4817:48, 15 May 2020 diff hist +99 Matching Sphere Scan No edit summary
- 17:4717:47, 15 May 2020 diff hist −1 Matching Sphere Scan No edit summary
- 17:4717:47, 15 May 2020 diff hist +657 N Matching Sphere Scan Created page with "This script generates some number of directories with perturbed matching spheres. The original script was written by Trent Balius. Wrapper script is written by Reed Stein. Us..."
- 17:4417:44, 15 May 2020 diff hist +26 DOCK 3.7 →Prepare Receptor
24 March 2020
- 21:1521:15, 24 March 2020 diff hist +265 Generating decoys (Reed's way) →Querying ZINC for SMILES
- 21:1221:12, 24 March 2020 diff hist +122 Generating decoys (Reed's way) →Querying ZINC for Protomers
11 March 2020
- 02:0302:03, 11 March 2020 diff hist +18 Generating decoys (Reed's way) No edit summary
- 01:5901:59, 11 March 2020 diff hist −3 Generating decoys (Reed's way) →Querying ZINC for SMILES
- 01:5101:51, 11 March 2020 diff hist +13 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
- 01:5101:51, 11 March 2020 diff hist +13 Generating decoys (Reed's way) →Step 1) Setting up directories for Protomers
- 01:5001:50, 11 March 2020 diff hist −9 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer