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Bug 278048 - [science overlay] sci-chemistry/mtz2hkl and sci-chemistry/mtz2sca
Summary: [science overlay] sci-chemistry/mtz2hkl and sci-chemistry/mtz2sca
Status: RESOLVED OBSOLETE
Alias: None
Product: Gentoo Linux
Classification: Unclassified
Component: New packages (show other bugs)
Hardware: All Linux
: High normal (vote)
Assignee: Default Assignee for New Packages
URL: http://shelx.uni-ac.gwdg.de/~tg/mtz2x...
Whiteboard: [sci-overlay]
Keywords: EBUILD, InOverlay
Depends on:
Blocks:
 
Reported: 2009-07-16 13:17 UTC by Justin Lecher (RETIRED)
Modified: 2021-01-18 21:15 UTC (History)
1 user (show)

See Also:
Package list:
Runtime testing required: ---


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Description Justin Lecher (RETIRED) gentoo-dev 2009-07-16 13:17:58 UTC
mtz2hkl is intended to facilitate the transition from refmac5 [1] refinement to shelxh or shelxl refinement. At high resolution refinement one often starts with refmac5 [1] and towards the end finishes with shelxh/ shelxl.

mtz2hkl is supposed to run with as little user interaction as possible and in the ideal case creates an HKLF 3 or HKLF 4 file from just the filename.

The input file should be the mtz-file that refmac5 [1] refines against.

To reference this program, please quote T. Grune: "mtz2sca and mtz2hkl: facilitated transition from CCP4 to the SHELX program suite"
Comment 1 Aisha Tammy 2021-01-18 21:15:11 UTC
upstream has not updated package in 10 years - https://homepage.univie.ac.at/tim.gruene/research/programs/conv/mtz2x/mtz2hkl/index.php