Skip to content

3.3.1 (2021-11-13)

Choose a tag to compare

View all tags
@sobolevnrm sobolevnrm released this 14 Nov 03:58
v3.3.1
6250bcf
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Verified
Learn about vigilant mode.

Fixes

  • Fix bug on multi-line error string output (#241).
  • Close dangling file object (#239).
  • Check for integer charge over entire molecule rather than individual residues. Some nucleic acid forcefields have fractional charges--that balance--at the terminii (#234).
  • Fix typographical error that affects RNA loading (#232).
  • Ensure that --version returns PDB2PQR version rather than PROPKA version (#231).

Changes

  • Allow users to disable protonation changes for some residues (#238).
  • Return error code on critical error (#227).
Assets 2
Loading