ResidMap

residmap 1.0
------------
REQUIREMENTS: VMD Version 1.8.6 or greater
DESCRIPTION:
 Sometimes the resid numbers in the crystal structure and in
 the model used in a simulation do not match. This package
 provides routines to convert back and forth between the
 numbering. All you need is a map file with the correspondence
 between the two in the following format:
 # segname resid_model resid_xtal
 16S 1007 1029
 16S 1008 1030
 16S 1009 1030A
 16S 1010 1030B
 16S 1011 1030C
 16S 1012 1030D
 16S 1013 1031
 16S 1014 1032
 ...
 The resids don't have to be numbers, so you can use
 insertion codes like the above example.
PROCEDURES:
 To load a map with the correspondence:
 residmap <map file>
 Now the following functions are available:
 model2xtal <resid> <segname>
 xtal2model <resid> <segname>
 
 If a given resid and segname are not found in the map file,
 the same resid is returned. This means that you do not
 necessarily need to provide a mapping of all resids, but only
 the ones that change. 
DOWNLOAD THE FILE:
	residmap.tcl
AUTHOR:
	Leonardo Trabuco (ltrabuco@ks.uiuc.edu)