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Fix automatic identification of CIF files.
CodeQL #190: Pull request #1080 opened by drroe
May 14, 2024 20:42 26m 19s drroe:fix.cif
May 14, 2024 20:42 26m 19s
CodeQL
CodeQL #189: Scheduled
May 8, 2024 13:30 26m 41s master
May 8, 2024 13:30 26m 41s
Add 'byfac' keyword to change mass/charge command (#1079)
CodeQL #188: Commit e043c39 pushed by drroe
May 7, 2024 18:46 26m 21s master
May 7, 2024 18:46 26m 21s
CodeQL
CodeQL #186: Scheduled
May 1, 2024 13:31 26m 13s master
May 1, 2024 13:31 26m 13s
Add ability to offset charge/mass, save charge/mass to variables (#1077)
CodeQL #185: Commit 59c077d pushed by drroe
April 29, 2024 18:42 26m 25s master
April 29, 2024 18:42 26m 25s
Fixes for'atommap' (#1076)
CodeQL #183: Commit 2bf5f02 pushed by drroe
April 29, 2024 16:26 26m 43s master
April 29, 2024 16:26 26m 43s
Fixes for'atommap'
CodeQL #182: Pull request #1076 opened by drroe
April 29, 2024 14:48 26m 23s drroe:fix.atommap
April 29, 2024 14:48 26m 23s
Add TICA, max/min distance calc, and data projection commands (#1075)
CodeQL #181: Commit bf9f5c3 pushed by drroe
April 25, 2024 18:52 25m 46s master
April 25, 2024 18:52 25m 46s
Add TICA, max/min distance calc, and data projection commands
CodeQL #180: Pull request #1075 synchronize by drroe
April 25, 2024 17:10 25m 53s drroe:tica
April 25, 2024 17:10 25m 53s
Add TICA, max/min distance calc, and data projection commands
CodeQL #179: Pull request #1075 synchronize by drroe
April 25, 2024 16:36 25m 56s drroe:tica
April 25, 2024 16:36 25m 56s
Add TICA, max/min distance calc, and data projection commands
CodeQL #178: Pull request #1075 opened by drroe
April 25, 2024 14:55 26m 20s drroe:tica
April 25, 2024 14:55 26m 20s
CodeQL
CodeQL #177: Scheduled
April 24, 2024 13:32 25m 54s master
April 24, 2024 13:32 25m 54s
CodeQL
CodeQL #176: Scheduled
April 17, 2024 13:30 26m 0s master
April 17, 2024 13:30 26m 0s
CodeQL
CodeQL #175: Scheduled
April 10, 2024 13:31 25m 43s master
April 10, 2024 13:31 25m 43s
CodeQL
CodeQL #174: Scheduled
April 3, 2024 13:30 26m 10s master
April 3, 2024 13:30 26m 10s
CodeQL
CodeQL #173: Scheduled
March 27, 2024 13:30 26m 30s master
March 27, 2024 13:30 26m 30s
CodeQL
CodeQL #172: Scheduled
March 20, 2024 13:31 26m 21s master
March 20, 2024 13:31 26m 21s
CodeQL
CodeQL #171: Scheduled
March 13, 2024 13:31 26m 42s master
March 13, 2024 13:31 26m 42s
Do not use "bad" box info from PDB files (#1068)
CodeQL #170: Commit 0793fd5 pushed by drroe
March 7, 2024 15:49 26m 20s master
March 7, 2024 15:49 26m 20s
Do not use "bad" box info from PDB files
CodeQL #169: Pull request #1068 synchronize by drroe
March 7, 2024 14:33 26m 0s drroe:fix.pdb.bad.box
March 7, 2024 14:33 26m 0s
Do not use "bad" box info from PDB files
CodeQL #168: Pull request #1068 synchronize by drroe
March 6, 2024 18:51 25m 25s drroe:fix.pdb.bad.box
March 6, 2024 18:51 25m 25s
Do not use "bad" box info from PDB files
CodeQL #167: Pull request #1068 opened by drroe
March 6, 2024 16:34 26m 16s drroe:fix.pdb.bad.box
March 6, 2024 16:34 26m 16s
CodeQL
CodeQL #166: Scheduled
March 6, 2024 13:30 25m 57s master
March 6, 2024 13:30 25m 57s