[Xplor-nih] select a part of a molecule in the tbl file

[John Kuszewski]

Hi,

Using selections based on atom IDs is almost always a bad idea, since  
the IDs depend
on how the PSF was created.

In this case, it appears that there's a problem with the xplor to VMD  
selection translation.
If you switch your selections to atom names or something, you should  
be fine.

--JK

On Nov 22, 2006, at 2:45 PM, <spitaleri.andrea at hsr.it> wrote:

> Hi all,
> I have a tbl (cns-format) like this:
>
> assign ( resid 12  and segid A)
>        (
> 	( resid 1  and segid B and (id 1114:1146))
>        )  2.0 2.0 0.0
> and feeding it to vmd-xplor it seems not reading it properly, but just
> skipping the restraints. if I remove the id 1114:1146 it works as
> normal. I am sure that 1114:1146 it is a part of my molecule.  
> probably i
> guess it is a syntax problem .... how can i solve it?
>
> thanks in advance
>
> Regards
>
> andrea
>
> Andrea Spitaleri PhD
> Dulbecco Telethon Institute
> c/o DIBIT Scientific Institute
> Biomolecular NMR, 1B4
> Via Olgettina 58
> 20132 Milano (Italy)
>
> ----- Original Message -----
> From: Charles at schwieters.org
> Date: Wednesday, November 22, 2006 8:22 pm
> Subject: Re: [Xplor-nih] problems with installation
>
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>>
>> Hello Jakob--
>>
>>>
>>> I am trying to instal xplor-nih on redhat linux. When I am
>> running the
>>> configure script I get the folowwing error message:
>>>
>>> ./configure: line 45: xplor: command not found
>>>
>>> line 45 of "configure" says:
>>>
>>> "eval `bin/xplor -sh-env`"
>>>
>>> does this mean that I need to install xplor before installing
>> xplor-nih?
>>>
>>
>> No.
>>
>> I think you have not downloaded and unpacked the two tar.gz files.  
>> One
>> - -db.tar.gz and the other one of the -Linux*.tar.gz files. Please
>> makesure you have both unpacked and see if the error persists.
>>
>> regards--
>> Charles
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>>
>> <spitaleri.andrea.vcf>
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