c-shell syntax would be: bin/ncont XYZIN 1FNT_BJ.pdb <<eof>ncont.log source /*/B target /*/J maxdist 6.0 eof
Best, Clemens Zitat von Thomas Juettemann <juettem...@gmail.com>:
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 output redirected into a file. Thank you for your time! Best wishes, Thomas
-------------------------------------------------- Dr. Clemens Grimm Institut für Biochemie Biozentrum der Universität Würzburg Am Hubland D-97074 Würzburg Germany e-mail: clemens.gr...@biozentrum.uni-wuerzburg.de phone : +49 0931 888 84031 -------------------------------------------------
