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Re: [ccp4bb] Sketcher and stereochemistry
 

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CCP4bb <-- 2007 <-- March 2007 <-- 19 March 2007
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Subject: Re: Sketcher and stereochemistry
From: Dale Tronrud det102 {- at -} UOXRAY {- dot -} UOREGON {- dot -} EDU
Date: 2007-03-19 		Next message:
Subject: Re: Sketcher and stereochemistry
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-19


Subject: Re: Sketcher and stereochemistry
From: Vu Thai thaivt {- at -} GMAIL {- dot -} COM
Date: 2007-03-19
thanks for the link. I had already seen it and was using it to assign my
chirality. I guess I should clarify my question. In sketcher, does one
input the highest priority neighbor first, then the second, and finally the
third? The sketcher GUI has three columns list: B/3, F/4, & 1/5. Do these
columns have any significance?

Vu

On Mon, 19 Mar 2007 15:35:43 -0700, Dale Tronrud
wrote:

> Garib has documentation on his website that I presume matches what is
>required by sketcher. It can be found at
>
>http://www.ysbl.york.ac.uk/~garib/refmac/docs/theory/chiral.html
>
> (I did a Google of "ccp4 chiral" to find it.)
>
>Dale Tronrud
>
>Vu Thai wrote:
>> Hi All,
>>
>> I was wondering how to properly define the stereochemistry for a new ligand
>> in sketcher. In the sketcher interface there are three columns after the
>> stereochem sign option. I would assume that the order in which you enter
>> the chiral neighbors would effect the sign that you choose for your
>> stereochemistry. Does any one know how sketcher reads these three columns
>> to determine the stereochemsitry?
>>
>> Thanks in advance for your help.
>> Cheers,
>> Vu
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