VMD Secondary Structure from PDB Records
vmd_read_pdb_ss 1.1
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REQUIREMENTS: VMD Version 1.0 or better
DESCRIPTION:
Normally VMD uses the program STRIDE in order to determine the
secondary structure of molecules. STRIDE uses standard algorithms,
but its conclusions may on occasion differ slightly from
what you expect. This script forces VMD to assign secondary
structure based on data in the appropriate record of the PDB file.
Thus you can fill in this record to obtain the desired secondary
structure representation. To use this routine, you must
call vmd_use_pdb_ss with both the id of the molecule to define
secondary structure on and the file where the SS information can
be found.
PROCEDURES:
vmd_read_pdb_ss -- extracts appropriate fields of a given PDB file
vmd_use_pdb_ss -- determines the molecule to which a secondary
structure definition is to be applied, as well as the PDB
file from which records for the secondary structure are
to be obtained via vmd_read_pdb_ss
EXAMPLE USAGE:
Suppose the PDB file corresponding to the top molecule is called
PLV.PDB. It is assumed that this PDB file has secondary structure
information contained within it. Then the following command
will define secondary structure according to this information
vmd_use_pdb_ss top PLV.PDB
If you choose 'Cartoon' as a representation, you will see that
the secondary structure has been taken from the PDB file.
DOWNLOAD THE FILE:
vmd_use_pdb_ss.tcl
AUTHOR:
Andrew Dalke (dalke@ks.uiuc.edu)