Hi,
there is no reason why only one heteroatom is reported in the model, unless it
is not included in the alignment. /zz* etc. does not mean anything unless it
has equivalent in the template. If your template has only one heteroatom you
could use it twice like:
>P1;template1 #pick only the zn
structureX:332:A:333:A::::
-------------------------/-z*
>P1;template1; #pick the full seq incl a zn
structureX:1:A:333:A::::
THISIS-THEWHOLE--SEQUENCE/z-*
>P1;target1
sequence::::::::::
TARGETSEQUENCECOMES--HERE/..*
That is my guess for your problem, difficult to say more without seeing the
details.
The message of 16 Feb 1999 might be also interesting for you.
copper for some reason was not included in the atom type list.
best wishes
Andras
Thorsten Schweikardt wrote:
>
> Hi there,
>
> I am trying to model a protein containing 2 copper atoms.
> I took the advice you gave Michel Giorgi (5-2-99) and
> pretended that copper is zinc. But the models I receive only
> have one zinc atom, not two. I tried several changes in the
> command syntax (/z*) to get the second copper/zinc modelled,
> e.g. /zz* or / z-z*, but any change results in the error:
>
> forrtl: severe (61): format/variable-type mismatch, unit 6, file stdout.
>
> I did not find anything about it in the manual. Can anyone tell me
> how to model the second zinc/copper atom into the structure ?
>
> Are there updated libraries available, where copper is parametrized ?
>
> Thanks for your help,
>
> Thorsten Schweikardt
> Molekulare Biophysik
> Universitat Mainz
> Germany
--
,
Andras Fiser, PhD # phone: (212) 327 7206
The Rockefeller University # fax: (212) 327 7540
Box 270, 1230 York Avenue # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras