Re: [ccp4bb] Extracting .pdb info with python

2013-06-06 Thread Allister Crow
Grant, Python will do this sort of thing using strings - you can split a text string by the character positions. For example: mystring='abcdefg' mystring[0:3] will return... 'abc' and... mystring[4:5] will return 'de' etc. The PDB format is fixed - so you can use this approach to get the

Re: [ccp4bb] structural homologs as cross seeds

2013-12-27 Thread Allister Crow
I know of at least one published example where seeding has been used to crystallise a number of homologues: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2243101/ (Sanchez-Weatherby 2006, Acta Cryst F 62:518) There are probably others out there... Certainly worth giving it a go. Best wishes, -

Re: [ccp4bb] Help needed to make a clue about ligand

2018-01-10 Thread Allister Crow
@iitg.ernet.in <mailto:spkanau...@iitg.ernet.in> > Homepage: http://www.iitg.ernet.in/spkanaujia/ > <http://www.iitg.ernet.in/spkanaujia/> > Google Scholar: https://scholar.google.com/citations?user=Zt4JSNYJ&hl=en > <https://scholar.google.com/citations?user=Zt4JSNYJ&hl=en> > - Allister Crow School of Life Sciences University of Warwick

Re: [ccp4bb] disulfide bond question

2011-04-05 Thread Allister Crow (JIC)
-dependant alcohol dehydrogenase by Oubrie et al. - Allister Crow John Innes Centre On 05/04/2011 13:55, Ronnie wrote: I have a question related to protein structure, but not crystallography per se. Has anyone see a disulfide forming between the two cys of "CXC" in the middle of a loop