One more note:
Karl Gruber wrote:
>
> Dear all,
>
> I am a new user of Modeller (vers. 4h, June 16, 1997) and I hope that
> this list is still alive. I have encountered some problems running the
> scripts 'loop' and 'cluster', which I tried both with my own and the
> tutorial files.
>
> The input and (part of the) output in the case of 'cluster' were as
> follows:
>
> --------------------
>
> INCLUDE
>
> DEFINE_STRING VARIABLES = SEQUENCE MODEL CSRFILE
>
> SET SEQUENCE = 'pruse1' # sequence code
> SET MODEL = 'pruse1.B99990002' # one PDB structure
> SET CSRFILE = 'pruse1.rsr' # restraints file
> SET ID1 = 2, ID2 = 11 # cluster these models
>
> CALL ROUTINE = 'cluster'
try to use the clustering script in this form:
#################
INCLUDE
SET OUTPUT_CONTROL = 1 1 1 1 1
SET ROOT_NAME = 'pruse1' # sequence code
SET MODEL = 'pruse1.B99990002' # one PDB structure
SET CSRFILE = 'pruse1.rsr' # restraints file
SET FILE_EXT = ' '
SET FILE_ID = '.B'
SET EXPAND_CONTROL = 0000 0000 2 11 0
CALL ROUTINE = 'cluster'
######################
"expand_control" first two arguments: the starting first 4 and ending first 4
digits in the file extension (from 9999 and to 9999 in your case), the third
and fourth is about the second part of the file extension: from model-2 to
model-11
A "cluster.opt" named coordinate file should appear as a result. It worked for
me, of course the underlying coordinate files were different.
Andras
--
,
Andras Fiser, PhD # phone: (212) 327 7216
The Rockefeller University # fax: (212) 327 7540
Box 270, 1230 York Avenue # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras