Re: [ccp4bb] residuewise rmsd for multiple chain superposition

2012-02-22 Thread Avinash Punekar
Dear Sreetama, ProFit (http://www.bioinf.org.uk/software/profit/) does the RMS-by-residue calculation for multiple chain superposition. Avinash Punekar

Re: [ccp4bb] residuewise rmsd for multiple chain superposition

2012-02-21 Thread Eric Pettersen
On Feb 21, 2012, at 4:00 PM, sreetama das wrote: Is there any software which will print the RMSDs (residue wise, and not chain wise) for more-than-2 chains (having similar/ same sequences) superposed together? In UCSF Chimera you can use the Match->Align tool to create a structu

Re: [ccp4bb] residuewise rmsd for multiple chain superposition

2012-02-21 Thread Thomas Holder
Dear Sreetama, theseus can superpose multiple structures and reports RMSD per residue. http://www.theseus3d.org/ If your sequences are not identical and you want least squares superposition, run it like this: theseus_align -l -f *.pdb This will produce several output files. The file "theseu

[ccp4bb] residuewise rmsd for multiple chain superposition

2012-02-21 Thread sreetama das
Dear all,    Is there any software which will print the RMSDs (residue wise, and not chain wise) for more-than-2 chains (having similar/same sequences) superposed together? Thanks in advance, sreetama