Re: [ccp4bb] Mlphare problem

2012-06-20 Thread Appu kumar
Hell Sir, I am using this input script to run the mlphare #!/bin/sh set -e # bug # 3192 - run-all examples produce harvest files - well to counteract # this here set HARVESTHOME to somewhere in $CCP4_SCR HARVESTHOME=$CCP4_SCR export HARVESTHOME mlphare hklin /home/skumaran/Desktop

Re: [ccp4bb] Mlphare problem

2012-06-20 Thread Eleanor Dodson
You can View input command file, when working from the GUI. Could you cut and paste this into your message - obviously some inmportant parameter is not set, but I cant tell which without seeing that file. Eleanor On 20 June 2012 05:25, Appu kumar wrote: > Thank you for your reply, > I am run

Re: [ccp4bb] Mlphare problem

2012-06-19 Thread Appu kumar
Thank you for your reply, I am running Malphare through CCP4 GUI interface. I am giving mtz file and Se.pdb file as input and running it. I do not know running Malphare through script. Please help me with heavy atom refinement in Malphare. On 20 June 2012 03:49, Pete Meyer wrote: > It's not cle

[ccp4bb] Mlphare problem

2012-06-19 Thread Appu kumar
Dear CCP4 user, I am facing problem in running Mlphare for *HEAVY ATOM REFINEMENT and PHASE CALCULATO. It is running successfully but in output log file i am not getting any FOM for acentric. Log file output of one of the cycle is ** * *** Finished refinement cycl