peakmax MAPIN "myfile.ccp4" XYZOUT "myfiles_omit_atom.pdb" <<eof END eof
that works Eleanor On Tue, 8 Jun 2021 at 19:16, Philip D. Jeffrey <pjeff...@princeton.edu> wrote: > Paul was a little too terse, perhaps. > In script form > > peakmax MAPIN myfile.ccp4 XYZOUT myfiles_omit_atom.pdb << EOF-pmx > keywords in here > EOF-pmx > > at least that's what works for me in Csh. Bash proselytizers will correct > me as necessary... > > Phil Jeffrey > Princeton > > ------------------------------ > *From:* CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Mohamed > Ibrahim <m.essam.ibra...@gmail.com> > *Sent:* Tuesday, June 8, 2021 2:06 PM > *To:* CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> > *Subject:* Re: [ccp4bb] Problem with peakmax > > Thanks Paul, > Is it possible to add Ctrl-D to my bash script? > > Best regards, > > On Tue, Jun 8, 2021 at 8:03 PM Mohamed Ibrahim < > mohamed.ibra...@hu-berlin.de> wrote: > > Thanks Paul, > Is it possible to add Ctrl-D to my bash script? > > Best regards, > > On Tue, Jun 8, 2021 at 7:51 PM Paul Emsley <pems...@mrc-lmb.cam.ac.uk> > wrote: > > On Tue, 2021-06-08 at 19:34 +0200, Mohamed Ibrahim wrote: > > > > I am trying to get the peak values from omit maps. The peakmax from the > GUI works fine. However, I tried to run > > peakmax from the terminal, and it stuck when returning P1. Same map file > works fine, when I use the GUI. Any ideas, > > how to solve this problem? > > > > command used > > peakmax MAPIN "myfile.ccp4" XYZOUT "myfiles_omit_atom.pdb" > > > > Ctrl-D > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a > mailing list hosted by www.jiscmail.ac.uk, terms & conditions are > available at https://www.jiscmail.ac.uk/policyandsecurity/ > > > > -- > > * ----------------------------------* > *Dr. Mohamed Ibrahim * > *Postdoctoral Researcher * > > *Humboldt University * > *Berlin, Germany * > *Tel: +49 30 209347931 * > > > > -- > > * ----------------------------------* > *Dr. Mohamed Ibrahim * > *Postdoctoral Researcher * > > *Humboldt University * > *Berlin, Germany * > > *Tel: +49 30 209347931 * > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
