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[modeller_usage] Hetatm-entries in calculated model



Dear Modeller-Users,

 

I’m not only new to this Newsgroup, but also fairly new to Modeller.

I’m using Modeller6v2 for a practical work at the University of Munich, Germany,

doing a Homology Modelling approach.

The problem we’ve 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 couldn’t find a solution looking through the manual and faq.

We’re 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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