Michael,
Try align...
Fit only works when all of the atom identifiers match. Align
matches atoms through a 1D alignment and then performs some
optimization:
align TtHisRS////ca, EcHRSade////ca
align SaHRS////ca, EcHRSade////ca
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
> -----Original Message-----
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Behalf Of Michael Bovee
> Sent: Tuesday, December 02, 2003 11:17 AM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] cannot 'fit' a particular pdb file
>
> Hi,
> I have loaded 3 pdb files of homologous forms of an enzyme. The 'fit'
> command works for superimposing/aligning two of them, but the third
> file always gives a No Atoms Selected error. Is there something in the
> pdb file I can fix? As a general rule now, I Hide Everything at first
> and then Show Lines as I begin with a new PyMOL session. I can see all
> three molecules, just can't align the third one (EcHRSade) with the
> first two (TtHisRS and SaHRS).
>
> PyMOL>fit TtHisRS, SaHRS
> Executive: RMS = 4.222 (718 to 718 atoms)
>
> PyMOL>fit TtHisRS, EcHRSade
> ExecutiveRMS-Error: No atoms selected.
> PyMOL>fit EcHRSade, TtHisRS
> ExecutiveRMS-Error: No atoms selected.
> PyMOL>fit EcHRSade, SaHRS
> ExecutiveRMS-Error: No atoms selected.
>
> Thanks,
> --Michael
>
>
>
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