Hi Martyn,
excellent - this worked!
Many thanks!
Cheers,
Dirk.
Am 30.08.13 16:04, schrieb Martyn Winn:
> IIRC the CCP4 library (i.e. mmdb) can handle 2-character chain names. There may be something specific in pdbset which interferes. You can try pdbcur as an alternative. Something like:
>
> pdbcur xyzin toxd_AA.pdb xyzout toxd_out.pdb <<eof
> translate * frac 0 0.2 0
> end
> eof
>
> I just tried it on a little example, and it works for me.
>
> Cheers
> Martyn
>
>> -----Original Message-----
>> From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
>> Dirk Kostrewa
>> Sent: 30 August 2013 14:41
>> To: ccp4bb
>> Subject: [ccp4bb] Fractional coordinate shift with two-character chain
>> names?
>>
>> Dear CCP4ers,
>>
>> I want to apply a fractional coordinate shift along a polar b-axis with
>> coordinates that have non-standard two-character chain names, such as
>> "AA", "AB", and so forth. Unfortunately, neither the old USF moleman2
>> nor the actual CCP4 pdbset can handle these chain names. To my
>> knowledge, only COOT and PHENIX can cope with them.
>> Before I start writing my own little jiffy, is there a quick way to use
>> COOT or PHENIX to apply a fractional coordinate shift, or could you
>> tell me, which other program I can use in this special case?
>>
>> Best regards,
>>
>> Dirk.
>>
>> --
>>
>> *******************************************************
>> Dirk Kostrewa
>> Gene Center Munich
>> Department of Biochemistry
>> Ludwig-Maximilians-Universität München
>> Feodor-Lynen-Str. 25
>> D-81377 Munich
>> Germany
>> Phone: +49-89-2180-76845
>> Fax: +49-89-2180-76999
>> E-mail: [log in to unmask]
>> WWW: www.genzentrum.lmu.de
>> *******************************************************
--
*******************************************************
Dirk Kostrewa
Gene Center Munich
Department of Biochemistry
Ludwig-Maximilians-Universität München
Feodor-Lynen-Str. 25
D-81377 Munich
Germany
Phone: +49-89-2180-76845
Fax: +49-89-2180-76999
E-mail: [log in to unmask]
WWW: www.genzentrum.lmu.de
*******************************************************
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