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PR/55755 CVS commit: pkgsrc/biology
The following reply was made to PR pkg/55755; it has been noted by GNATS.
From: "Benny Siegert" <bsiegert%netbsd.org@localhost>
To: gnats-bugs%gnats.NetBSD.org@localhost
Cc:
Subject: PR/55755 CVS commit: pkgsrc/biology
Date: Tue, 3 Nov 2020 20:17:59 +0000
Module Name: pkgsrc
Committed By: bsiegert
Date: Tue Nov 3 20:17:59 UTC 2020
Modified Files:
pkgsrc/biology: Makefile
Added Files:
pkgsrc/biology/coordgenlibs: DESCR Makefile PLIST buildlink3.mk
distinfo
Log Message:
New package, coordgenlibs-1.4.2.
Part of PR pkg/55755.
This is Schroedinger, Inc's 2D coordinate generation. It was formerly
proprietary code, but is now released under the BSD license.
The emphasis of these algorithms are on quality of 2D coordinates rather than
speed of generation. The algorithm distinguishes itself from many others by
doing well with both macrocycles and metal complexes. It also does extremely
well on typical drug-like small molecules, and has been validated on millions
of compounds.
To generate a diff of this commit:
cvs rdiff -u -r1.57 -r1.58 pkgsrc/biology/Makefile
cvs rdiff -u -r0 -r1.1 pkgsrc/biology/coordgenlibs/DESCR \
pkgsrc/biology/coordgenlibs/Makefile pkgsrc/biology/coordgenlibs/PLIST \
pkgsrc/biology/coordgenlibs/buildlink3.mk \
pkgsrc/biology/coordgenlibs/distinfo
Please note that diffs are not public domain; they are subject to the
copyright notices on the relevant files.
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