Which loop energy?
Hi all, I have recently started to model GPCRs, but as with everyone else I am having trouble with the loops. I have followed the tutorials , kindly given, and have resulted with a number of files with different loops starting and ending in different locations. I have investingated the log files for energy terms, as I understand it the loop model with the lowest energy term is a good starting point. My problem which energy term in the log file do I use, as there seems to be a number of energy terms even for the same loop model number. > Many thanks for any help > John >
Hi,
The final energy score for loops will be reported in the header of each of the the coordinate files (*.B*) in the line of MODELLER OBJECTIVE FUNCTION:
the lower the better: when grabbing and sorting pay attention that it can be negative as well. Andras
J Simms wrote: > > Hi all, > I have recently started to model GPCRs, but as with everyone > else I am having trouble with the loops. I have followed the tutorials > , kindly given, and have resulted with a number of files with different > loops starting and ending in different locations. I have investingated > the log files for energy terms, as I understand it the loop model with > the lowest energy term is a good starting point. My problem which > energy term in the log file do I use, as there seems to be a number > of energy terms even for the same loop model number. > > Many thanks for any help > > John > >
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J Simms