I wrote a little utility called pdb_merge that is in CCP4. With the "nomerge" option, it checks for duplicate chain IDs, and renames chains if necessary.
The main limitation is that it can only merge 2 files, but you should be able to script a loop to call it multiple times. What happens if you have 10 chains in the asu and a cubic spacegroup, I am not sure ... HTH Martyn On Fri, 2011-04-08 at 16:47 +0530, krishan wrote: > Dear CCP4BB members, > We are using a script written in python to generate symmetry mates > for a given pdb file using PYMOL. After generating symmetry mates we > want to combine all the symmetry molecules in a single PDB file with > all the chains having unique chain IDs. Since all the symmetry mates > have same chain ID's I was wondering if some one knows a script that > can give unique chain ID for each symmetry mate. We are interested in > script because that dataset that we are handling is large. > I thank you all in advance for your help. > Best, > > Krishan -- *********************************************************************** * * * Dr. Martyn Winn * * * * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * * Tel: +44 1925 603455 E-mail: martyn.w...@stfc.ac.uk * * Fax: +44 1925 603634 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
