Re: [PyMOL] Re:

[Jules J. <jo...@he...>]

Kostas,

This command:
dist name, sel1, sel2, mode=3D2

doesn't work because the move value should be a whole number ie. 1,2,3 etc.

Also unless you have some objects actually called sel1 and sel2 you 
won't get anything meaningful back.

something like this:

dist name, resn lys, resn glu, mode=2

will give you a new object called name, which shows the distances 
between all lysine and glutamate N-O atoms within approxmately 3.5 
Angstroms.

Is this clearer?

Jules


Kostas Tripsianes wrote:
> On Tuesday 18 October 2005 16:36, pym...@li... 
> wrote:
> Hi Warren
> It's been a long time since my last post. Anyway I tried the polar contacts 
> identifier as written below
> 
>>dist name, sel1, sel2, mode=3D2
> 
> and I get the following error
> Traceback (most recent call last):
>   File "/home/kostas/pymol/modules/pymol/parser.py", line 191, in parse
>     result=apply(kw[nest][0],args[nest],kw_args[nest])
>   File "/home/kostas/pymol/modules/pymol/querying.py", line 400, in distance
>     str(selection2),int(mode),float(cutoff),
> ValueError: invalid literal for int(): 3D2
> using the last version  pymol-0_99beta20
> Any clue
> Another important notion regarded the 0.99 versions and on is that incorrectly 
> draw bonds between methyl protons. As you understand I work with NMR 
> structures but I don't have this misinterpretation with previous versions. 
> The same appeared with 13 and 20 releases. Please keep it in mind.
> 
> cheers kostas
> 
> 
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