Hi Lina, Not really a Pymol question, is it? On linux you can use sed:
sed '/^\(ATOM\|HETA\)/s/^\(.\{72\}\)..../\1 /' filein.pdb > fileout.pdb That means: /^\(ATOM\|HETA\)/ :: Match lines starting with ATOM or with HETA, and on those lines execute: s/^\(.\{72\}\)..../\1 / :: Subsitute the first 72 characters and the following four by the first 72 and four spaces. '\1' refers to the 72 stored characters: \(.\{72\}\} Hope it helps, Tsjerk On Tue, Oct 11, 2011 at 9:59 AM, lina <lina.lastn...@gmail.com> wrote: > Hi, > > I wish to change > > ATOM 822 H01 PDB 1 32.103 36.531 -0.203 -0.11 0.02 .296 > H > ATOM 823 C12 PDB 1 34.140 35.147 -0.218 -0.18 -0.01 .122 > C > > to: > > ATOM 822 H01 PDB 1 32.103 36.531 -0.203 -0.11 > 0.02 H > ATOM 823 C12 PDB 1 34.140 35.147 -0.218 -0.18 > -0.01 C > > only the last field. > > How can I quickly achieve it. > > Thanks, > > > > ------------------------------------------------------------------------------ > All the data continuously generated in your IT infrastructure contains a > definitive record of customers, application performance, security > threats, fraudulent activity and more. Splunk takes this data and makes > sense of it. Business sense. IT sense. Common sense. > http://p.sf.net/sfu/splunk-d2d-oct > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net