[Bug 204341] [patch update] biology/molden 5.0.7 -> 5.4
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Fri Nov 6 19:42:22 UTC 2015
https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=204341
Bug ID: 204341
Summary: [patch update] biology/molden 5.0.7 -> 5.4
Product: Ports & Packages
Version: Latest
Hardware: Any
OS: Any
Status: New
Severity: Affects Only Me
Priority: ---
Component: Individual Port(s)
Assignee: freebsd-ports-bugs at FreeBSD.org
Reporter: pi at FreeBSD.org
Created attachment 162857
--> https://bugs.freebsd.org/bugzilla/attachment.cgi?id=162857&action=edit
patch
Changes:
- Missing hydrogens atoms of HETATM molecules (pdb files) are stored locally.
- Pdb files can now be clipped.
- Fixes missing residues. Introduces an alternative way of generating rotamers,
without using z-matrices. This potentially a faster algorithm.
- Supports Movie making through avconv/ffmpeg.
- calculates the Electron Localization Function (ELF).
- Updated code of ambfor/ambmd to speed up optimisations/MD of proteins
solvated in water (Jan, 2014).
test-builds @work, needs some users that can test the application itself.
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