Closed j3mdamas closed 4 years ago
Thank you!
On Sun, Apr 19, 2020 at 10:03 AM João M. Damas notifications@github.com wrote:
Following up on issue #451 https://github.com/Electrostatics/apbs-pdb2pqr/issues/451, I create this PR as asked by @sobolevnrm https://github.com/sobolevnrm (#451 https://github.com/Electrostatics/apbs-pdb2pqr/issues/451)
You can view, comment on, or merge this pull request online at:
https://github.com/Electrostatics/apbs-pdb2pqr/pull/540 Commit Summary
- fix of {N,C}CYS atom HSG to HG
File Changes
- M pdb2pqr/dat/AMBER.DAT https://github.com/Electrostatics/apbs-pdb2pqr/pull/540/files#diff-c3f40918e49da5b52c029869d8f3d1a7 (4)
- M pdb2pqr/dat/AMBER.names https://github.com/Electrostatics/apbs-pdb2pqr/pull/540/files#diff-0c4279155faeca068f1c94aab7b9305a (14)
Patch Links:
- https://github.com/Electrostatics/apbs-pdb2pqr/pull/540.patch
- https://github.com/Electrostatics/apbs-pdb2pqr/pull/540.diff
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Fixes #451
Following up on issue https://github.com/Electrostatics/apbs-pdb2pqr/issues/451, I create this PR as asked by @sobolevnrm (https://github.com/Electrostatics/apbs-pdb2pqr/issues/451)