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

[zjxu <zj...@ma...>]

Dear Thomas,

at.hetatm works perfectly!  Thanks very much.

Best Regards,
  Zhijian Xu

Thomas Holder wrote:
> 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
>>     
>
>
>
>