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hi graeme, if you want to create a new residue type, first of all you need to get a pdb for it. The prodrg server can do this for you: http://davapc1.bioch.dundee.ac.uk/programs/prodrg/ you draw your structure without H's (I used the ascii txt thing so don't know about the other option), then run prodrg and paste the 'pdb with added hydrogens' into some new_residue.pdb. You may want to edit the names prodrg produces if they are not to your liking. Then you need to run format converter. I would do this in a new project just in case you mess things up first time round - then you can just delete the project. Choose 'import/single files/chemical compounds/pdb' and follow the dialogue boxes. Format converter sometimes seems to have issues reading atom names that have 4 characters eg H42A, so I had to edit these manually in the chemcomp atom and bond creation dialogue (click update after you do this). Once imported, you can try to make a new protein in the molecule templates bit of analysis with your new residue (eg I change SER42 to SXM for my modified serine in the import sequence dialogue) to check that it has worked. I had some issues when I did 'make chain from template' using this modified serine - it stopped at the modified a.a. and complained there was no default chemcompvar. I sorted this out by editing /CCPNMR_HOME/ccpnmr1.0/ccp/chemComp/protein/SXM.xml and changing the line for chemcompvar that had linking 'middle' from 'isdefault=false' to 'isdefault=true' and it worked fine after that. Tim or Wim may have a suggestion as to what is actually going on there. simon