RE: [PyMOL] selection disordered

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

Frank,

That PDB file has bogus/inconsistent segment identifiers that are
screwing up atomic ordering (since atoms are sorted into segments by
default).

set ignore_pdb_segi

before loading the pdb file and then everything should work file.

Cheers,
Warren


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Warren L. DeLano, Ph.D.                    =20
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> -----Original Message-----
> From: pym...@li...=20
> [mailto:pym...@li...] On Behalf Of=20
> Frank Dressel
> Sent: Thursday, January 19, 2006 7:36 AM
> To: pym...@li...
> Subject: [PyMOL] selection disordered
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> Hi there,
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> i have the following problem: selecting all ca atoms in chain=20
> A of 1ao0 the amino acids in the selection are disordered=20
> with respect to their occurrence in the protein.
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> After loading the protein i tried the following:
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>     numbers=3D[]
>     iterate (chain a)&(name ca),(numbers.append(resi))
>     print numbers
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> And what i get is the following:
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>     ['56', '1', '2', '3', '4', '5', '6', '7', '8', '9', '10',=20
> '11', '12', '13', '14', '15', '16', '17', '18', '19', '20',=20
> '21', '22', '23', '24', '25', '26', '27','28', '29', '30',=20
> '31', '32', '33', '34', '35', '36', '37', '38', '39', '40',=20
> '41', '42', '43', '44', '45', '46', '47', '48', '49', '50',=20
> '51', '52', '53', '54', '55', '57', '58', '59', '60', '61', ...]
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> So the 56th amino acid is BEFORE the first one. Whats going wrong?
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>     Thanks:
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>        Frank
>=20
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