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COMMITS

master
March 10, 2026
T
Fix position of added OXT atom (#347)
Thomas Holder committed
5e658a4
October 30, 2025
P
Update version number to 1.12 (#340)
Peter Eastman committed
94cfa4c
September 22, 2025
E
Remove old files and update license text (#339)
Evan Pretti committed
0f70134
E
Add legacy-cgi to replace cgi (#338)
Evan Pretti committed
6a3f61d
March 7, 2025
J
Fix a bug in assigning charges from formalCharge in the CCD when that formal charge is set to '?' instead of a number. (#327)
Jason Swails committed
5a6c129
February 4, 2025
P
Update version number to 1.11 (#325)
Peter Eastman committed
199f03d
January 31, 2025
P
Allow selecting the Platform to use (#324)
Peter Eastman committed
4b53959
January 6, 2025
P
Fix exception with unknown residues (#322)
Peter Eastman committed
29fcf15
December 3, 2024
P
Add hydrogens to caps (#320)
Peter Eastman committed
b31b57b
November 9, 2024
P
CI tests against the released OpenMM (#317)
Peter Eastman committed
c83d125
P
Update version numbers (#314)
Peter Eastman committed
1be7265
November 4, 2024
P
removeHeterogens() returns the Residues that were removed (#316)
Peter Eastman committed
66f52de
October 28, 2024
P
membraneCenterZ was being ignored (#313)
Peter Eastman committed
b2cd2c4
P
Removed a deprecated import (#312)
Peter Eastman committed
a6f6430
October 15, 2024
P
Try to put peptide bonds in the correct orientation (#309)
Peter Eastman committed
4c0ffa5
October 3, 2024
P
Soft core force field includes torsions with wildcards (#308)
Peter Eastman committed
6da5bb6
September 27, 2024
J
Neutralise systems with formal charges from the PDB (#301)
Josh A. Mitchell committed
2744212
July 17, 2024
P
Fixed bug in added bonds to heterogens (#298)
Peter Eastman committed
f9aae0b
July 16, 2024
P
Support nonstandard residues (#296)
Peter Eastman committed
92044f3
July 10, 2024
P
Can add hydrogens to nonstandard residues (#295)
Peter Eastman committed
5cf78a2
June 26, 2024
M
Bugfixed chain ID assignment in addSolvent (#287) (#294)
murfalo committed
268f1d7
May 11, 2023
P
Updated version number to 1.9 (#273)
Peter Eastman committed
6bf10e1
February 16, 2023
P
Optimizations to _findNearestDistance() (#268)
Peter Eastman committed
3db52f1
February 8, 2023
P
Updated installation instructions (#265)
Peter Eastman committed
12c4231
December 9, 2022
J
Add forcefield arg to addMissingHydrogens. (#262)
Jonathan King committed
db28869
November 15, 2022
R
Added nonstandard residue 'MK8' (#257)
Ruibin Liu committed
92f73cc
R
Add nonstandard residue '5OW' to LYS (#258)
Ruibin Liu committed
63d4d31
April 7, 2022
D
fix CI badge; remove some old simtk (#246)
David W.H. Swenson committed
0c26d10
March 30, 2022
P
Added boxShape option to addSolvent() (#245)
Peter Eastman committed
01ade19
January 25, 2022
P
Updated manual to show current output of --help (#239)
Peter Eastman committed
437344e