Hi Teri, MAIN can do it: "http://www-bmb.ijs.si/";.
this script will help you: read file xx.pdb coor pdb set coor sele all end deortho write over file xx_fract.pdb coor pdb standard for the opposite conversion replace the "deortho" with "ortho". When the PDB file doc not contain the CRYST1 read a cell constants file before the PDB file. example of cell.dat file: 10.9 10 10 90 90 90.0 best regards, dusan On Jan 8, 2013, at 1:00 AM, CCP4BB automatic digest system <lists...@jiscmail.ac.uk> wrote: > Date: Mon, 7 Jan 2013 11:18:19 +0530 > From: Teri Arman <teriar...@gmail.com> > Subject: Re: Who invented PDB format? > > Fractional Coordiantes to Orthogonal Coordinates and Vice Versa > > Hi, I need help, how can I make coordiates of 100 of PDBs of different > space groups to fractional coordiantes and vice versa. I do not find CCP4 > do it? A program of fortran or C codes with possible suggestion may be > helpful. > Thank you. > TA > Dr. Dusan Turk, Prof. Head of Structural Biology Group Head of Centre for Protein and Structure Production Centre of excellence for Integrated Approaches in Chemistry and Biology of Proteins, Scientific Director Professor of Structural Biology at IPS "Jozef Stefan" e-mail: dusan.t...@ijs.si http://bio.ijs.si/sbl/ phone: +386 1 477 3857 Dept. of Biochem.& Mol.& Struct. Biol. fax: +386 1 477 3984 Jozef Stefan Institute Jamova 39, 1 000 Ljubljana,Slovenia Skype: dusan.turk (voice over internet: www.skype.com
