Re: [ccp4bb] automise ncont

Many thanks for all answers, it is greatly appreciated. Best wishes, Thomas On Thu, Apr 29, 2010 at 09:50, Ian Tickle wrote: > On Thu, Apr 29, 2010 at 4:25 PM, Edward A. Berry wrote: >> Command-line param like XYZIN don't seem to be shell variables, >> but can be set by variables: >> >> bin/nco

Re: [ccp4bb] automise ncont

On Thu, Apr 29, 2010 at 4:25 PM, Edward A. Berry wrote: > Command-line param like XYZIN don't seem to be shell variables, > but can be set by variables: > > bin/ncont XYZIN $XYZIN

Re: [ccp4bb] automise ncont

Seems I confuse atom-selection syntax with filespec syntax here. Anyway the idea is that shell variables will be substituted in the input lines before they are passed to the program Command-line param like XYZIN don't seem to be shell variables, but can be set by variables: bin/ncont XYZIN $XYZIN

Re: [ccp4bb] automise ncont

And passing parameters (I haven't tested this): #!/bin/csh -f foreach ncB ( `ls /*/B` ) foreach ncJ ( `ls /*/J` ) set ncMAXD=6.0 bin/ncont XYZIN 1FNT_BJ.pdb

Re: [ccp4bb] automise ncont

c-shell syntax would be: bin/ncont XYZIN 1FNT_BJ.pdb

Re: [ccp4bb] automise ncont

See $CCP4/examples/unix/runnable/ncont.exam Run as e.g. ncont.exam > ncont.log Cheers Martyn On Thu, 2010-04-29 at 06:42 -0700, Thomas Juettemann wrote: > Dear all, > > I am pretty new to the CCP4 suite. I am trying to automise the > execution and parsing of ncont. > Could someone advise me how

[ccp4bb] automise ncont

Dear all, I am pretty new to the CCP4 suite. I am trying to automise the execution and parsing of ncont. Could someone advise me how (if possible) to pass parameters to the program? I am trying to do something like bin/ncont XYZIN 1FNT_BJ.pdb source /*/B target /*/J maxdist 6.0 and have the out