Changes between Version 371 and Version 372 of ChangeLog


Ignore:
Timestamp:
Aug 25, 2022, 6:07:28 PM (3 years ago)
Author:
Elaine Meng
Comment:

--

Legend:

Unmodified
Added
Removed
Modified

  • ChangeLog

    v371 v372  
    44This log includes new features of interest to users.  Minor feature improvements and minor bug fixes are usually not included. Dates are approximate.
    55----
    6 August 25, 2022: ** Assign atomic partial charges and Amber/GAFF types ** - [https://www.rbvi.ucsf.edu/chimerax/docs/user/commands/addcharge.html addcharge] command looks up charges for standard residues and calculates them (AM1-BCC or Gasteiger method via Antechamber) for nonstandard residues
     6August 25, 2022: ** Assign atomic partial charges and Amber/GAFF types ** - [https://www.rbvi.ucsf.edu/chimerax/docs/user/commands/addcharge.html addcharge] command looks up Amber force field charges for standard residues, uses Antechamber to assign GAFF types
     7and calculate charges for nonstandard residues
    78
    89August 25, 2022: ** !Axes/Planes/Centroids GUI ** - [https://www.rbvi.ucsf.edu/chimerax/docs/user/tools/axesplanes.html Axes/Planes/Centroids] tool includes interactive table of objects and dialogs to define them