3.2.0 (2021-08-04)

[sobolevnrm]

Additions

• Added documentation on how to contribute (Create CONTRIBUTING.md #183).

Fixes

• Fixed problematic PotentialBond sourcing (Intendo/issue 200 #206).
• Fixed missing HN atom in CYM residue (AMBER has H atom in CYM residue #197).
• Fixed assignment of elements in created atoms (Fix elements of created atoms #195).
• Fixed double-letter element PDB parsing error (Fix for PDB writer #194).
• Fixed broken links in documentation (Invalid link to documentation #184).

Changes

• Improved documentation of constants in modules.
• Improved handling of improperly formatted PDB records that are not HETATM or ATOM (Fail gracefully on incorrectly formatted header records #170, PDB2PQR should not crash when reading malformed PDB headers #210).
• Removed versioneer (Remove versioneer #209).
• Removed Pandas requirement (drop pandas requirement? #179)

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This discussion was created from the release 3.2.0 (2021-08-04).