This is easy to do in Pymol again. If you have atoms in selection "nameX", the command is "select nameX, br. nameX". Very simple. Best regards, Petr
________________________________________ From: CCP4 bulletin board <[email protected]> on behalf of Gianluca Santoni <[email protected]> Sent: Wednesday, April 3, 2019 5:13:59 PM To: [email protected] Subject: Re: [ccp4bb] select from a pdb file a sphere of atoms I could be useful to then expand the selection to include the full residues and not just the atoms within the sphere: byres S1 On 4/3/19 4:21 PM, Steiner, Roberto wrote: > pymol? > > example > S1 around 12.3 a. Atoms with centers within 12.3 Angstroms of the > center of any atom in S1 > Best wishes > Roberto > > On 3 Apr 2019, at 15:18, Stephen Cusack > <[email protected]<mailto:[email protected]>> wrote: > > Dear All, > > I am looking for an accessible programme that allows selection of atoms > from a PDB file > > within a sphere of inputted radius from a central atom. > > Thanks for any help, > > Stephen Cusack > > -- > > ********************************************************************** > Dr. Stephen Cusack, FRS > Head of Grenoble Outstation of the European Molecular Biology Laboratory > (EMBL) > Group leader in structural biology of protein-RNA complexes and viral proteins > ********************************************************************** > > Email: [email protected]<mailto:[email protected]> > Website: > https://eur03.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.embl.fr&data=01%7C01%7Croberto.steiner%40KCL.AC.UK%7C741d46af65624537240e08d6b83f5ac5%7C8370cf1416f34c16b83c724071654356%7C0&sdata=he7%2BNc8OllNF1sHbwnp6VcqkEbXUHohZNp9UgrhHMUc%3D&reserved=0 > Tel: (33) 4 76 20 7238 Secretary (33) 4 76 20 7123 > Fax: (33) 4 76 20 7199 > Postal address: EMBL Grenoble Outstation, 71 Avenue des Martyrs, CS 90181, > 38042 Grenoble Cedex 9, France > Delivery address: EMBL Grenoble Outstation, Polygone Scientifique, 71 Avenue > des Martyrs, 38000 Grenoble, France > ********************************************************************** > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2Fwebadmin%3FSUBED1%3DCCP4BB%26A%3D1&data=01%7C01%7Croberto.steiner%40KCL.AC.UK%7C741d46af65624537240e08d6b83f5ac5%7C8370cf1416f34c16b83c724071654356%7C0&sdata=Y79iaYJFPi5rX%2BKfSSGKoq1afpxWDwFFnpBitBeU%2Fqk%3D&reserved=0 > > Professor Roberto Steiner > Randall Centre for Cell and Molecular Biophysics > Faculty of Life Sciences and Medicine > King's College London > > [email protected]<mailto:[email protected]> > Phone 0044 20 78488216 > Fax 0044 20 78486435 > > Room 3.10A > New Hunt's House > Guy's Campus > SE1 1UL > London > > > > > > > > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > -- Gianluca SANTONI, Serial crystallography data scientist ESRF 71 av. des Martyrs 38027 Grenoble (France) ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
