User contributions for Rstein
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28 August 2019
- 16:5816:58, 28 August 2019 diff hist +2 Using thin spheres in DOCK3.7 No edit summary
- 16:5716:57, 28 August 2019 diff hist −5,743 Protein Target Preparation →Checking Your Protein Preparation current
- 16:5616:56, 28 August 2019 diff hist +5,671 N Protein Target Preparation Updated Created page with "== Checking Your Protein Preparation == written by Reed Stein, 4/3/2019 === Electrostatics === The electrostatics grid used in docking is called "trim.electrostatics.phi". ..."
- 16:5516:55, 28 August 2019 diff hist +41 DOCK 3.7 →Prepare Receptor
- 16:5316:53, 28 August 2019 diff hist +20 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
- 16:5316:53, 28 August 2019 diff hist +20 Generating decoys (Reed's way) →Step 1) Setting up directories for Protomers
- 16:4916:49, 28 August 2019 diff hist −2 Generating decoys (Reed's way) →Step 1) Setting up directories for Protomers
- 16:4816:48, 28 August 2019 diff hist −2 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
- 16:4616:46, 28 August 2019 diff hist −2 Generating decoys (Reed's way) →Step 4) Copying decoy .db2.gz files into your directories
- 16:4516:45, 28 August 2019 diff hist −12 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 16:4416:44, 28 August 2019 diff hist −15 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 16:4416:44, 28 August 2019 diff hist −19 Generating decoys (Reed's way) →Step 3) Assigning decoys to ligands
- 16:4416:44, 28 August 2019 diff hist +215 Generating decoys (Reed's way) →Step 3) Assigning decoys to ligands
- 16:4316:43, 28 August 2019 diff hist −14 Generating decoys (Reed's way) →Step 4) Setting up ligand/decoy directories for building SMILES
- 16:4316:43, 28 August 2019 diff hist +215 Generating decoys (Reed's way) →Step 3) Assigning accepted protomer decoys to each ligand protomer
- 00:1900:19, 28 August 2019 diff hist +30 Generating decoys (Reed's way) →Step 4) Setting up ligand/decoy directories for building SMILES
23 August 2019
- 23:3623:36, 23 August 2019 diff hist +297 Generating decoys (Reed's way) →Step 4) Setting up ligand/decoy directories for building SMILES
- 21:4021:40, 23 August 2019 diff hist +48 Generating decoys (Reed's way) →Step 1) Setting up SMILES directory
- 21:3921:39, 23 August 2019 diff hist +70 Generating decoys (Reed's way) →Step 4) Copying decoy .db2.gz files into your directories
- 21:3821:38, 23 August 2019 diff hist +101 Generating decoys (Reed's way) →Step 4) Setting up ligand/decoy directories for building SMILES