Summary: | sci-chemistry/reduce-3.13.080428 (Update) | ||
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Product: | Gentoo Linux | Reporter: | Philipp Psurek <philipp.psurek+gentoo> |
Component: | New packages | Assignee: | Gentoo Chemistry-Related Packages <sci-chemistry> |
Status: | VERIFIED FIXED | ||
Severity: | enhancement | ||
Priority: | Lowest | ||
Version: | unspecified | ||
Hardware: | AMD64 | ||
OS: | Linux | ||
URL: | http://kinemage.biochem.duke.edu/software/reduce.php | ||
Whiteboard: | |||
Package list: | Runtime testing required: | --- | |
Attachments: | ebuild |
Description
Philipp Psurek
2008-07-04 00:53:21 UTC
Created attachment 159475 [details]
ebuild
I set the environment variable REDUCE_HET_DICT to the old HET directory 'cause the manual don't tell anything about the new.
The important part here is to keep coot working. Does coot actually work with version 3 pdb's, with the reduce/probe integration? Coot should work with the old version which is the default in this ebuild. If anybody wants to test the new HET directory then the /etc/env.d/20reduce should be changed: old REDUCE_HET_DICT="/usr/share/reduce/reduce_het_dict.txt" new REDUCE_HET_DICT="/usr/share/reduce/reduce_wwPDB_het_dict.txt" I can't test it because my coot installation stops at sci-libs/cifparse-obj compilation. I can't compile this library even from scratch. More in another bug... I just bumped this. Thanks for looking into exactly what needed to change! I didn't base the bump off your ebuild, though -- I tried to minimize changes from the existing one instead. |