David,
By default, when HETATMs are loaded from a PDB file, the "ignore" flag
is set, which means that they are excluded from surface & mesh calculations.
You can clear these flags with:
flag ignore,all,clear
rebuild
Alternatively, you can just tell the surface and mesh algorithms to disregard
the ignore flag by changing the surface mode.
set mesh_mode,1
set surface_mode,1
mode 0: consider all atoms except those with ignore set
mode 1: consider all atoms
mode 2: consider all non-hydrogen atoms
Cheers,
Warren
--
mailto:[email protected]
Warren L. DeLano, Ph.D.
Informatics Manager
Sunesis Pharmaceuticals, Inc.
341 Oyster Point Blvd.
S. San Francisco, CA 94080
(650)-266-3606 FAX:(650)-266-3501
> -----Original Message-----
> From: David P. Chimento [mailto:[email protected]]
> Sent: Thursday, March 20, 2003 7:09 AM
> To: [email protected]
> Subject: [PyMOL] Surface on HETATM groups
>
>
> I would like to display a surface for a HETATM group in my
> structure, but
> PYMOL is not doing so. Has anyone ever done this and if so
> how? Thanks.
>
>
> David Chimento University of Virginia
> [email protected]
> W (804) 243-2730 or 924-9599
> H (804) 984-0877
>
>
>
>
>
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