Dear all,
I have a couple of questions concerning mrBUMP:
1) I cannot correctly fix E-values for Fasta search, e.g., 6E-11,
actually it seems
it accepts only 4 decimal places like 0.0001. I also tried to edit scripts
by hand ("run & view com file").
2) I would like to use mrBUMP firstly in the "model search only" option
and then
restart/continue the job (in this case, off-line) to do molecular
replacement with the previously selected models.
Is there a way to do it without having to enter the selected models by hand?
3) I also would like to enter pre-determined pdb files for molecular
replacement but I cannot understand
very well the "User specified search models" session in ccp4i.
What I understand is that I need to specify BOTH the pdb file AND the chain.
Thus, if I have a pdb with many chains, I need to define many lines to
refer to only one
pdb file. Is there a way to only specify the path of the pdb files and
left to mrBUMP the decision
of whether or not to select a particular chain?
4) ccp4i dbviewer is launched automatically when mrBUMP starts to run.
A task button at the bottom of the "Program List" was created but it does
not work (message: "sh: bltwish: command not found").
Maybe problems with my installation?
Is there a way to launch dbviewer by command line?
Thank you very much in advance,
Ricardo
#CCP4I VERSION CCP4Interface 1.4.4.2
#CCP4I SCRIPT LOG mrbump
#CCP4I DATE 31 Aug 2007 16:13:17
#CCP4I USER aparicio
#CCP4I PROJECT PRS
#CCP4I JOB_ID 18
#CCP4I SCRATCH /tmp/aparicio
#CCP4I HOSTNAME minerva.iqm.unicamp.br
#CCP4I PID 27340
http_proxy not specified in environemnt
#########################################################################
#########################################################################
#########################################################################
# CCP4: MRBUMP - Automated Bulk Molecular Replacement (version 0.4.1) #
#########################################################################
