*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk ***
Sorry. You can't add link restraints to Coot (only the addition of monomer restraints is allowed). As Ian Tickle has already told us, Coot is quite stupid about link restraints. The fix to this is planned but not yet scheduled - it is non-trivial. Paul. On Fri, 2006-12-29 at 14:51 -0600, Richard Baxter wrote: > > I need help with the correct dictionary for a thioester bond in > Refmac/Coot. The following cif file was output by Refmac run in review > restaints mode with the A chain of PDB ID 2B39. I tried loading it with > "Import CIF Dictionary" in Coot but it complained the dictionary > contained no restraints (angles, dihedrals?). > > Richard > > global_ > _lib_name mon_lib > _lib_version 4.11 > _lib_update 15/04/05 > # > # --- LIST OF LINKS --- > # > data_link_list > loop_ > _chem_link.id > _chem_link.comp_id_1 > _chem_link.mod_id_1 > _chem_link.group_comp_1 > _chem_link.comp_id_2 > _chem_link.mod_id_2 > _chem_link.group_comp_2 > _chem_link.name > CYS-GLN CYS . . GLN . . > bond_CYS-SG_=_GLN-CD > # ------------------------------------------------------ > # > # --- DESCRIPTION OF LINKS --- > # > data_link_CYS-GLN > # > loop_ > _chem_link_bond.link_id > _chem_link_bond.atom_1_comp_id > _chem_link_bond.atom_id_1 > _chem_link_bond.atom_2_comp_id > _chem_link_bond.atom_id_2 > _chem_link_bond.type > _chem_link_bond.value_dist > _chem_link_bond.value_dist_esd > CYS-GLN 1 SG 2 CD . 1.610 0.020 > # ------------------------------------------------------ >
