residmap 1.0

REQUIREMENTS: VMD Version 1.8.6 or greater

        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.

        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. 


	Leonardo Trabuco (