VMD-L Mailing List

From: Joseph E. Curtis (joseph.curtis_at_nist.gov)
Date: Fri Jan 07 2005 - 16:46:16 CST

Hi,

We can't seem to find the corresponding descriptor in
atomselect/AtomSel to read or write
the "ATOM" or "HETATM" record statements in PDB files.

For example, in a python script, to get the index array we use

             md1=molecule.get_top()
             molinfo=AtomSel('all',molid=md,frame=0)
             index=molinfo.get('index')

What is the descriptor for the first column of a PDB file?

Thanks,

Joseph

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Joseph E. Curtis, Ph. D.

joseph.curtis_at_nist.gov

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