source: trunk/GSASIImacros/bonds-resrb.mac @ 812

Last change on this file since 812 was 812, checked in by vondreele, 9 years ago

add restraint macro files
fix a triclinic error in genHlaue
continue development of restraints

File size: 224 bytes
Line 
1!standard bond restraints for amino acids using flexible rigid bodies - Engh & Huber
2F 0.3
3S * 1.329 .01 C N              !peptide chain
4S * 1.249 .01 C OXT
5S * 3.80 .1 CA CA
6S CYS 2.031 .01 SG SG          !disulfides
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