Re: [PyMOL] Get dihedral angle of multiple objects

[Rui S. <Rui...@un...>]

Hi,

I am assuming it is because, when you pass the arguments on the 
cmd.dihedral() command, the "obj" is being read as a string, instead of 
the variable obj. I think your problem will be solved if you use 
something like, for your first example:
"/"+obj+"///655/CA"
Note the quotation marks placement. This is not the cleanest solution 
but should help.

Rui

Le 07/12/2016 07:09, Val Yu a écrit :
> Hi,
>
> I'm trying to use this script to get a specific dihedral angle from 
> all the objects and write into a file:
>
> PyMOL>f = open('dih.txt','w')
> PyMOL>for obj in cmd.get_object_list():\
> PyMOL>    dih = 
> cmd.dihedral('dih','/obj///655/CA','/obj///655/CB','/obj///655/CG','/obj///655/CD1')\
> PyMOL>    f.write(str(dih))
>
> The software shows following complains:
> Selector-Error: Invalid selection name "obj".
> ( ( ( % obj ) & i; 655 & n; CA ) )<--
> Selector-Error: Invalid selection name "obj".
> ( ( ( % obj ) & i; 655 & n; CB ) )<--
> Selector-Error: Invalid selection name "obj".
> ( ( ( % obj ) & i; 655 & n; CG ) )<--
> Selector-Error: Invalid selection name "obj".
> ( ( ( % obj ) & i; 655 & n; CD1 ) )<--
> ...
>
> What's wrong with my script?
>
> -- 
> Val Yu
>
>
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