Dear Martin, I use a script which invokes the coot command similar to what you describe with --script mapcent added on the same line. The mapcent script is attached. You can either go to a certain atom, or set hte rotation center in Å coordinates. You can add whatever commands to the script to get the view and options you like.
Best, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Martín Martínez Ripoll Gesendet: Donnerstag, 16. November 2017 12:09 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] Scripting for COOT Dear all, I am trying to write a long script that, among others, runs COOT, and for this purpose we use something like: coot --pdb refmac-out.pdb --auto refmac-out.mtz However, I do not know how to include in the script an instruction or keyword to centre at a particular residue number. Does anybody know how to do it? Thanks in advance, Martin _________________________________________ Dr. Martin Martinez-Ripoll Research Professor Emeritus xmar...@iqfr.csic.es<mailto:xmar...@iqfr.csic.es> Department of Crystallography & Structural Biology www.xtal.iqfr.csic.es<https://urldefense.proofpoint.com/v2/url?u=http-3A__www.xtal.iqfr.csic.es_&d=DwMFAw&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=kU7E2X2Pk1OIZPrH3Jv3BdMeufRvkl9y06XUojOiKj0&s=yiNG__jT6YRPhqgIOO3x6BCoYuqwi-1o4FK-t4MkBts&e=> www.xtal.iqfr.csic.es/Cristalografia/<https://urldefense.proofpoint.com/v2/url?u=http-3A__www.xtal.iqfr.csic.es_Cristalografia_&d=DwMFAw&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=kU7E2X2Pk1OIZPrH3Jv3BdMeufRvkl9y06XUojOiKj0&s=BzUGq7oLSRRIIfx651bTf6sDG9GgHdRPMT6qF9fMrb8&e=> Telf.: +34 917459550 Consejo Superior de Investigaciones Científicas Spanish National Research Council [cid:image001.jpg@01D35EFD.59627D40]
mapcent
Description: mapcent
