VMD-L Mailing List

From: Andrew Dalke (dalke_at_mag.com)
Date: Thu Jan 22 1998 - 12:02:32 CST

  The full format description for the PDB is at

http://www.pdb.bnl.gov/pdb-docs/doc_help.html

under the section

> o The PDB Contents Guide Version 2.1(draft), October 25, 1996 in html, in
> text, or as UNIX compressed text format

VMD only reads the following records:

  ATOM
  HETATM
  END/ENDMDL (VMD only reads the first model of a structure)
  CRYST1 (to store alpha/beta/gamma/a/b/c values for access via molinfo)

Of the ATOM/HETATM records, neither the atom element nor the charge
fields are read.

                                                Andrew Dalke
                                                dalke_at_mag.com 

---
Not speaking for the Molecular Applications Group.