echo “keyword1 arguments\nkeyword2 arguments\n etc. \nEND” | peakmax MAPIN myfile.ccp4 XYZOUT myfiles_omit_atom.pdb should work as well
Thierry From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Philip D. Jeffrey Sent: Tuesday, June 8, 2021 2:16 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Problem with peakmax EXTERNAL EMAIL – Use caution with any links or file attachments. 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<mailto:CCP4BB@JISCMAIL.AC.UK>> on behalf of Mohamed Ibrahim <m.essam.ibra...@gmail.com<mailto:m.essam.ibra...@gmail.com>> Sent: Tuesday, June 8, 2021 2:06 PM To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> <CCP4BB@JISCMAIL.AC.UK<mailto: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<mailto: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<mailto: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<http://www.jiscmail.ac.uk/CCP4BB>, a mailing list hosted by www.jiscmail.ac.uk<http://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 Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (2000 Galloping Hill Road, Kenilworth, New Jersey, USA 07033), and/or its affiliates Direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system. ######################################################################## 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/
