RE: [PyMOL] HETATM in pdb

[Warren D. <wa...@de...>]

Paul,

rename object-name, force=3D1

will cause PyMOL to assign unique (though not necessarily sequential)
atom names...

Cheers,
Warren



--
Warren L. DeLano, Ph.D.                    =20
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> -----Original Message-----
> From: pym...@li...=20
> [mailto:pym...@li...] On Behalf Of=20
> Paul Wilhelm Elsinghorst
> Sent: Monday, December 12, 2005 9:35 AM
> To: pym...@li...
> Subject: [PyMOL] HETATM in pdb
>=20
> Hi,
>=20
>=20
> I was wondering if I can get PyMol to add consecutive numbers=20
> to the HETATM labels of my ligand.
>=20
> So I'd like to get this:
>=20
>=20
>=20
> =09
> 	HETATM    1  N1  PWE     1       0.459  60.194  72.834 =20
> 1.00  0.00           N
> 	HETATM    2  N2  PWE     1       1.778  68.314  67.268 =20
> 1.00  0.00           N
> 	HETATM    3  N3  PWE     1       2.162  68.185  65.952 =20
> 1.00  0.00           N
> 	HETATM    4  N4  PWE     1       5.940  69.286  64.620 =20
> 1.00  0.00           N
> 	HETATM    5  C5  PWE     1      -2.914  55.019  74.878 =20
> 1.00  0.00           C
> 	HETATM    6  C6  PWE     1      -0.798  55.711  74.017 =20
> 1.00  0.00           C
> 	HETATM    7  C7  PWE     1      -1.065  57.076  73.908 =20
> 1.00  0.00           C
> 	HETATM    8  C8  PWE     1      -0.272  57.886  73.082 =20
> 1.00  0.00           C
> 	HETATM    9  C9  PWE     1       0.774  57.334  72.332 =20
> 1.00  0.00           C
> 	HETATM   10  C10 PWE     1       1.056  55.969  72.430 =20
> 1.00  0.00           C
> 	HETATM   11  C11 PWE     1       2.817  56.083  70.817 =20
> 1.00  0.00           C
>=20
>=20
>=20
> instead of this:
>=20
>=20
> =09
> 	HETATM    1  N  PWE     1       0.459  60.194  72.834 =20
> 1.00  0.00           N
> 	HETATM    2  N  PWE     1       1.778  68.314  67.268 =20
> 1.00  0.00           N
> 	HETATM    3  N  PWE     1       2.162  68.185  65.952 =20
> 1.00  0.00           N
> 	HETATM    4  N  PWE     1       5.940  69.286  64.620 =20
> 1.00  0.00           N
> 	HETATM    5  C  PWE     1      -2.914  55.019  74.878 =20
> 1.00  0.00           C
> 	HETATM    6  C  PWE     1      -0.798  55.711  74.017 =20
> 1.00  0.00           C
> 	HETATM    7  C  PWE     1      -1.065  57.076  73.908 =20
> 1.00  0.00           C
> 	HETATM    8  C  PWE     1      -0.272  57.886  73.082 =20
> 1.00  0.00           C
> 	HETATM    9  C  PWE     1       0.774  57.334  72.332 =20
> 1.00  0.00           C
> 	HETATM   10  C  PWE     1       1.056  55.969  72.430 =20
> 1.00  0.00           C
> 	HETATM   11  C  PWE     1       2.817  56.083  70.817 =20
> 1.00  0.00           C
>=20
>=20
>=20
>=20
> Any ideas?
>=20
>=20
> Paul
>=20