Paul, rename object-name, force=1
will cause PyMOL to assign unique (though not necessarily sequential) atom names... Cheers, Warren -- Warren L. DeLano, Ph.D. Principal Scientist . DeLano Scientific LLC . 400 Oyster Point Blvd., Suite 213 . South San Francisco, CA 94080 USA . Biz:(650)-872-0942 Tech:(650)-872-0834 . Fax:(650)-872-0273 Cell:(650)-346-1154 . mailto:war...@delsci.com > -----Original Message----- > From: pymol-users-ad...@lists.sourceforge.net > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of > Paul Wilhelm Elsinghorst > Sent: Monday, December 12, 2005 9:35 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] HETATM in pdb > > Hi, > > > I was wondering if I can get PyMol to add consecutive numbers > to the HETATM labels of my ligand. > > So I'd like to get this: > > > > > HETATM 1 N1 PWE 1 0.459 60.194 72.834 > 1.00 0.00 N > HETATM 2 N2 PWE 1 1.778 68.314 67.268 > 1.00 0.00 N > HETATM 3 N3 PWE 1 2.162 68.185 65.952 > 1.00 0.00 N > HETATM 4 N4 PWE 1 5.940 69.286 64.620 > 1.00 0.00 N > HETATM 5 C5 PWE 1 -2.914 55.019 74.878 > 1.00 0.00 C > HETATM 6 C6 PWE 1 -0.798 55.711 74.017 > 1.00 0.00 C > HETATM 7 C7 PWE 1 -1.065 57.076 73.908 > 1.00 0.00 C > HETATM 8 C8 PWE 1 -0.272 57.886 73.082 > 1.00 0.00 C > HETATM 9 C9 PWE 1 0.774 57.334 72.332 > 1.00 0.00 C > HETATM 10 C10 PWE 1 1.056 55.969 72.430 > 1.00 0.00 C > HETATM 11 C11 PWE 1 2.817 56.083 70.817 > 1.00 0.00 C > > > > instead of this: > > > > HETATM 1 N PWE 1 0.459 60.194 72.834 > 1.00 0.00 N > HETATM 2 N PWE 1 1.778 68.314 67.268 > 1.00 0.00 N > HETATM 3 N PWE 1 2.162 68.185 65.952 > 1.00 0.00 N > HETATM 4 N PWE 1 5.940 69.286 64.620 > 1.00 0.00 N > HETATM 5 C PWE 1 -2.914 55.019 74.878 > 1.00 0.00 C > HETATM 6 C PWE 1 -0.798 55.711 74.017 > 1.00 0.00 C > HETATM 7 C PWE 1 -1.065 57.076 73.908 > 1.00 0.00 C > HETATM 8 C PWE 1 -0.272 57.886 73.082 > 1.00 0.00 C > HETATM 9 C PWE 1 0.774 57.334 72.332 > 1.00 0.00 C > HETATM 10 C PWE 1 1.056 55.969 72.430 > 1.00 0.00 C > HETATM 11 C PWE 1 2.817 56.083 70.817 > 1.00 0.00 C > > > > > Any ideas? > > > Paul >
