Commits · 889baef66ec4184ab74f8a486d3147b1307014e0 · tsoc / openmm

02 Aug, 2023 1 commit
- writeFile() accepts a filename instead of a file object (#4162) · 889baef6
  Peter Eastman authored Aug 02, 2023
  
  889baef6
22 Mar, 2022 1 commit
- Use hex for large atom and residue IDs in PDB files (#3522) · 79740ece
  Peter Eastman authored Mar 22, 2022
  
  79740ece
05 Oct, 2021 1 commit
- Improved handling of atoms with alternate locations (#3270) · 5cfa489f
  Peter Eastman authored Oct 05, 2021
```
* Improved handling of atoms with alternate locations

* Fixed a test failure caused by an invalid PDB file
```
  5cfa489f
01 Feb, 2021 1 commit

Top level Python module is now "openmm" (#3000) · e53bdc5e

Peter Eastman authored Feb 01, 2021

* Top level Python module is now "openmm"

* Updated module names in examples

* Updated module names in documentation

* Updated module in CI scripts

* Added deprecation warning

e53bdc5e

04 Jun, 2020 1 commit
- Fixed test case · 68eb50bd
  peastman authored Jun 04, 2020
  
  68eb50bd
19 Feb, 2019 3 commits
- Revert "Ensuring opened files are closed properly when done" · 174b57e4
  tic20 authored Feb 19, 2019
```
This reverts commit 5ef91d22.
```
  174b57e4
- Ensuring opened files are properly closed · a52611a8
  tic20 authored Feb 19, 2019
  
  a52611a8
- Ensuring opened files are closed properly when done · 5ef91d22
  tic20 authored Feb 19, 2019
  
  5ef91d22
22 May, 2018 1 commit
- Handle PDB files with altlocs correctly · d11c2f67
  peastman authored May 22, 2018
  
  d11c2f67
09 Jan, 2016 2 commits
- rearrange TestPdbFile.py · 197eac74
  Rafal P. Wiewiora authored Jan 09, 2016
  
  197eac74
- tests · 58d0c548
  Rafal P. Wiewiora authored Jan 09, 2016
  
  58d0c548
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
12 Aug, 2015 2 commits
- Update TestPdbFile.py · 920d3d4b
  Robert T. McGibbon authored Aug 12, 2015
  
  920d3d4b
- Fix two tests for python3 · 408cfe6c
  Robert McGibbon authored Aug 12, 2015
  
  408cfe6c
27 Feb, 2015 1 commit
- Added test for binary PDB streams · 9fee45f9
  peastman authored Feb 27, 2015
  
  9fee45f9
10 Feb, 2015 1 commit
- More support for triclinic boxes · 30a53702
  Peter Eastman authored Feb 10, 2015
  
  30a53702
09 Feb, 2015 1 commit
- Continuing triclinic box support in Python layer · 0a0f0214
  Peter Eastman authored Feb 09, 2015
  
  0a0f0214