source: trunk/GSASIImacros/chiral.mac @ 5028

Last change on this file since 5028 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: 609 bytes
Line 
1!standard chiral volume restraints for amino acids
2F 0.5
3S ALA 2.478 .1 CA C CB N
4S ARG 2.503 .1 CA C CB N
5S ASN 2.503 .1 CA C CB N
6S ASP 2.503 .1 CA C CB N
7S CYS 2.503 .1 CA C CB N
8S GLN 2.503 .1 CA C CB N
9S GLU 2.503 .1 CA C CB N
10S HIS 2.503 .1 CA C CB N
11S ILE 2.519 .1 CA C CB N
12S LEU 2.503 .1 CA C CB N
13S LYS 2.503 .1 CA C CB N
14S MET 2.503 .1 CA C CB N
15S PHE 2.503 .1 CA C CB N
16S PRO 2.728 .1 CA C CB N
17S SER 2.503 .1 CA C CB N
18S THR 2.519 .1 CA C CB N
19S TRP 2.503 .1 CA C CB N
20S TYR 2.503 .1 CA C CB N
21S VAL 2.519 .1 CA C CB N
22S ILE 2.5 .5 CB CA CG1 CG2
23S THR 2.5 .5 CB CA OG1 CG2
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