Hetatm-entries in calculated model
Dear Modeller-Users,
Im not only new to this Newsgroup, but also fairly new to Modeller.
Im using Modeller6v2 for a practical work at the University of Munich, Germany,
doing a Homology Modelling approach.
The problem weve ran into is, that in the calculated model-files .B999900xx we only
have HETATM-Entries and no ATOM-Entries. That might be a simple problem,
but I couldnt find a solution looking through the manual and faq.
Were using a multiple alignment done by clustalw and the following simple .top-file:
#############################################################
INCLUDE
SET OUTPUT_CONTROL = 1 1 1 1 1
SET OUTPUT_DIRECTORY = ......
SET DIRECTORY = .......
SET ALNFILE = ......
SET KNOWNS = ......
SET SEQUENCE = .......
SET ATOM_FILES_DIRECTORY = ........
SET STARTING_MODEL = 1
SET ENDING_MODEL = 1
CALL ROUTINE = 'model'
#####################################################################
I would be very pleased if someone could help me.
Volker Aufschild
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On Sat, Jan 17, 2004 at 01:39:36PM +0100, Volker Aufschild wrote: > The problem weve ran into is, that in the calculated model-files > .B999900xx we only > > have HETATM-Entries and no ATOM-Entries. That might be a simple problem
It's difficult to know what the problem is unless we can see the sequence of the model and the alignment you're using. Modeller writes HETATM or ATOM records depending on the residue type.
Ben Webb, Modeller Caretaker
participants (2)
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Modeller Caretaker
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Volker Aufschild