Generating decoys (Reed's way): Revision history

3 May 2019

• curprev 23:1923:19, 3 May 2019‎ Rstein talk contribs‎ 10,055 bytes +13‎ →‎Step 3) Removing SMILES decoys that are too similar to known ligands
• curprev 23:1823:18, 3 May 2019‎ Rstein talk contribs‎ 10,042 bytes −9‎ →‎Step 4) Setting up ligand/decoy directories for building SMILES
• curprev 23:1723:17, 3 May 2019‎ Rstein talk contribs‎ 10,051 bytes −600‎ No edit summary
• curprev 23:1723:17, 3 May 2019‎ Rstein talk contribs‎ 10,651 bytes −15‎ →‎Step 3) Removing SMILES decoys that are too similar to known ligands
• curprev 23:1723:17, 3 May 2019‎ Rstein talk contribs‎ 10,666 bytes −27‎ →‎Step 2) Retrieving SMILES decoys from ZINC15
• curprev 23:1623:16, 3 May 2019‎ Rstein talk contribs‎ 10,693 bytes +457‎ →‎Step 1) Setting up SMILES directory
• curprev 23:1223:12, 3 May 2019‎ Rstein talk contribs‎ 10,236 bytes +4‎ →‎Step 4) Copying decoy .db2.gz files into your directories
• curprev 23:1123:11, 3 May 2019‎ Rstein talk contribs‎ 10,232 bytes +4‎ →‎Step 3) Assigning accepted protomer decoys to each ligand protomer
• curprev 23:1123:11, 3 May 2019‎ Rstein talk contribs‎ 10,228 bytes +689‎ →‎Step 3) Assigning accepted protomer decoys to each ligand protomer
• curprev 23:0623:06, 3 May 2019‎ Rstein talk contribs‎ 9,539 bytes +136‎ →‎Step 1) Setting up directories for Protomers
• curprev 23:0523:05, 3 May 2019‎ Rstein talk contribs‎ 9,403 bytes 0‎ →‎Step 3) Assigning accepted protomer decoys to each ligand protomer
• curprev 23:0523:05, 3 May 2019‎ Rstein talk contribs‎ 9,403 bytes −344‎ No edit summary
• curprev 23:0523:05, 3 May 2019‎ Rstein talk contribs‎ 9,747 bytes −29‎ →‎Step 2) Retrieving protomer decoys from ZINC15
• curprev 23:0423:04, 3 May 2019‎ Rstein talk contribs‎ 9,776 bytes +17‎ No edit summary
• curprev 23:0423:04, 3 May 2019‎ Rstein talk contribs‎ 9,759 bytes +165‎ →‎Step 1) Setting up directories for Protomers

18 March 2019

• curprev 20:0920:09, 18 March 2019‎ Khtang talk contribs‎ 9,594 bytes −5‎ →‎Step 1) Setting up directories for Protomers

16 March 2019

• curprev 00:3900:39, 16 March 2019‎ Khtang talk contribs‎ 9,599 bytes −15‎ →‎Step 1) Setting up directories for Protomers
• curprev 00:3500:35, 16 March 2019‎ Khtang talk contribs‎ 9,614 bytes +15‎ No edit summary

7 February 2019

• curprev 01:1201:12, 7 February 2019‎ Rstein talk contribs‎ 9,599 bytes +237‎ No edit summary

31 October 2018

• curprev 19:0819:08, 31 October 2018‎ Rstein talk contribs‎ 9,362 bytes +386‎ →‎Step 1) Setting up SMILES directory

19 September 2018

• curprev 18:2818:28, 19 September 2018‎ Khtang talk contribs‎ 8,976 bytes 0‎ No edit summary

14 September 2018

• curprev 23:0723:07, 14 September 2018‎ Rstein talk contribs‎ 8,976 bytes +1‎ →‎Step 5) Copying decoy .db2.gz files into your directories
• curprev 23:0723:07, 14 September 2018‎ Rstein talk contribs‎ 8,975 bytes −45‎ →‎Step 5) Copying decoy .db2.gz files into your directories
• curprev 23:0623:06, 14 September 2018‎ Rstein talk contribs‎ 9,020 bytes −7‎ →‎Step 1) Setting up SMILES directories for Protomers
• curprev 21:5621:56, 14 September 2018‎ Rstein talk contribs‎ 9,027 bytes +1‎ →‎Step 1) Setting up SMILES directories for Protomers
• curprev 21:5521:55, 14 September 2018‎ Rstein talk contribs‎ 9,026 bytes +95‎ →‎Step 1) Setting up SMILES directories for Protomers
• curprev 21:5221:52, 14 September 2018‎ Rstein talk contribs‎ 8,931 bytes +2,956‎ No edit summary

25 April 2018

• curprev 23:1323:13, 25 April 2018‎ Rstein talk contribs‎ 5,975 bytes +377‎ No edit summary
• curprev 23:1023:10, 25 April 2018‎ Rstein talk contribs‎ 5,598 bytes −100‎ →‎Copying decoy .db2.gz files into your directories
• curprev 23:0523:05, 25 April 2018‎ Rstein talk contribs‎ 5,698 bytes +6‎ →‎Copying decoy .db2.gz files into your directories
• curprev 23:0523:05, 25 April 2018‎ Rstein talk contribs‎ 5,692 bytes +75‎ →‎Copying decoy .db2.gz files into your directories
• curprev 22:5322:53, 25 April 2018‎ Rstein talk contribs‎ 5,617 bytes +366‎ →‎Setting up SMILES directory

19 April 2018

• curprev 00:1000:10, 19 April 2018‎ Rstein talk contribs‎ 5,251 bytes +269‎ No edit summary

18 April 2018

• curprev 22:4422:44, 18 April 2018‎ Rstein talk contribs‎ 4,982 bytes +123‎ No edit summary
• curprev 20:5820:58, 18 April 2018‎ Rstein talk contribs‎ 4,859 bytes +136‎ →‎Setting up SMILES directory

6 April 2018

• curprev 21:1921:19, 6 April 2018‎ Rstein talk contribs‎ 4,723 bytes +377‎ No edit summary
• curprev 18:0618:06, 6 April 2018‎ Rstein talk contribs‎ 4,346 bytes +1‎ →‎Setting up SMILES directory
• curprev 18:0518:05, 6 April 2018‎ Rstein talk contribs‎ 4,345 bytes +2‎ →‎Setting up SMILES directory
• curprev 18:0318:03, 6 April 2018‎ Rstein talk contribs‎ 4,343 bytes +1‎ →‎Setting up SMILES directory
• curprev 16:2616:26, 6 April 2018‎ Rstein talk contribs‎ 4,342 bytes −196‎ No edit summary
• curprev 00:1100:11, 6 April 2018‎ Rstein talk contribs‎ 4,538 bytes −2‎ →‎Retrieving decoys from ZINC15
• curprev 00:1100:11, 6 April 2018‎ Rstein talk contribs‎ 4,540 bytes +15‎ →‎Retrieving decoys from ZINC15
• curprev 00:0400:04, 6 April 2018‎ Rstein talk contribs‎ 4,525 bytes +107‎ →‎Assigning accepted decoys to each ligand protomer
• curprev 00:0100:01, 6 April 2018‎ Rstein talk contribs‎ 4,418 bytes −113‎ →‎Assigning accepted decoys to each ligand protomer

5 April 2018

• curprev 22:0222:02, 5 April 2018‎ Rstein talk contribs‎ 4,531 bytes +157‎ →‎Retrieving decoys from ZINC15

4 April 2018

• curprev 23:3823:38, 4 April 2018‎ Rstein talk contribs‎ 4,374 bytes +466‎ No edit summary
• curprev 21:3421:34, 4 April 2018‎ Rstein talk contribs‎ 3,908 bytes −2‎ →‎Copying decoy .db2.gz files into your directories
• curprev 21:3421:34, 4 April 2018‎ Rstein talk contribs‎ 3,910 bytes 0‎ →‎Retrieving Decoys from ZINC15
• curprev 21:3321:33, 4 April 2018‎ Rstein talk contribs‎ 3,910 bytes 0‎ →‎Removing Decoys that are too similar to known ligands
• curprev 21:0621:06, 4 April 2018‎ Rstein talk contribs‎ 3,910 bytes +1‎ →‎Retrieving Decoys from ZINC15