vmd_read_pdb_ss 1.1 ------------------- 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)