[chimera-dev] suggestiion 2: altLoc attribute for residues

Eric Pettersen pett at cgl.ucsf.edu
Tue Sep 8 13:38:56 PDT 2009

Hi JD,
	I added an 'altLocs' attribute to Residue that returns the set of  
altLocs, if any.  It will be in tonight's build.  The code to generate  
the set of altLocs is not long, namely:

	set([a.altLoc for a in r.residues if a.altLoc.isalnum()])

I added it to the Residue class with the 'property' Python built-in  
function, i.e.:

Residue.altLocs = property(lambda r: set([a.altLoc for a in r.residues  
if a.altLoc.isalnum()]))

	So you could do that yourself with other properties you would like  
Residues (etc.) to have.

                         Eric Pettersen
                         UCSF Computer Graphics Lab

On Sep 8, 2009, at 10:35 AM, Jean Didier Pie Marechal wrote:

> Hi again,
> Would it be a great amount of extra work that the residue attributes  
> count with one that returns whether a residue has one or more  
> rotamer? That could return whether 0/1 (no multiple rotamer/multiple  
> rotamers) or directly the number of rotamers present in the pdb.
> That would eased some of the scripting we do.
> Best,
> JD
> Dr. Jean-Didier Maréchal
> Lecturer
> Computational Biotechnological Chemistry @ Transmet
> Unitat de Química Física
> Departament de Química
> Universitat Autònoma de Barcelona
> Edifici C.n.
> 08193 Cerdanyola (Barcelona)
> Tel: +34.935814936
> e-mail: JeanDidier.Marechal at uab.es
> _______________________________________________
> Chimera-dev mailing list
> Chimera-dev at cgl.ucsf.edu
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