Date: Fri, 06 Nov 2015 19:42:21 +0000 From: bugzilla-noreply@freebsd.org To: freebsd-ports-bugs@FreeBSD.org Subject: [Bug 204341] [patch update] biology/molden 5.0.7 -> 5.4 Message-ID: <bug-204341-13@https.bugs.freebsd.org/bugzilla/>
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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@FreeBSD.org Reporter: pi@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. -- You are receiving this mail because: You are the assignee for the bug.
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