Re: [PyMOL] how to print out the atom type in a pymol script

[Thomas H. <sp...@us...>]

Hi Zhijian,

it's the at.hetatm attribute.

try this:
print atoms.atom[0].__dict__

Cheers,
  Thomas

On Sat, 2010-09-25 at 22:56 +0800, zjxu wrote:
> Dear everyone,
> 
> I could print the atom properties in a script except the atom type:
>   atoms = cmd.get_model("object")
>   for at in atoms.atom:
>     sele1 = model + " and i. " +  resi
>     sele2="object and resi %s and name %s"% (at.resi, at.name)
>       #print sele1, sele2
>     dst=cmd.distance("tmp", sele1, sele2)
>     #print at.chain, at.resn, at.resi, at.name, at.index, "%8.3f"%dst
>     print model, resi, at.type, at.chain, at.resn, at.resi, at.name, 
> "%8.3f"%dst
> everything is OK if I delete at.tpye. 
>  From the error in the pymol, I could see that the attibute type does 
> not exist.
> so how to print the atom tyep (the first column in the PDB, that is ATOM 
> or HETATM)?
> 
> On http://www.pymolwiki.org/index.php/Label, type is  one  of  the 
> properties of the object: *type* /(ATOM,HETATM)/, the type of atom
> 
> Thanks very much in advance
> 
> Best regards,
> Zhijian Xu
> 
> Shanghai Institute of Materia Medica, China