Installing all ChemComp information

CcpForge repository access

All the chemComp information (as well as default coordinates) is now available via CcpForge. It will be updated weekly to stay up-to-date with the latest information from the wwPDB.

You can access the information in the following ways:

If you do not have a CcpForge user account:

cvs -d :pserver:anonymous@ccpforge.cse.rl.ac.uk:/cvsroot/ccpn-chemcomp login

cvs -d :pserver:anonymous@ccpforge.cse.rl.ac.uk:/cvsroot/ccpn-chemcomp checkout ccpn-chemcomp

If you do have a CcpForge user account (and are registered with ccpn-chemcomp):

export CVS_RSH=ssh

cvs -d :ext:developername@ccpforge.cse.rl.ac.uk:/cvsroot/ccpn-chemcomp checkout ccpn-chemcomp

If you are using Eclipse, just enter the above information in the 'CVS Repository Exploring' view to access the information.

Directory structure

After checkout, the following directory structure will have been created:

CCPN ChemComp archive directory structure

ccpn-chemcomp/

    data/

        pdbe/

            chemComp/

                archive/

                    ChemComp/

                        DNA/

                        RNA/

                        other/

                            0/

                            1/

                            ... the first letter of the ChemComp ccpCode

                        protein/

                    ChemCompCoord/

                        ideal/

                            ... for ideal coordinates

                        pdb/

                            ... for the PDB coordinates

If you plug this directory structure into the CCPNMR_TOP_DIR structure (either by manual symbolic link or by using the copyFromRep.py script) then the CCPN code will automatically pick up all the chemComps.