Re: [COOT] Failed to match the ligands' atom names

2014-09-13 Thread Shane Caldwell
Hi Helena, I'm not sure if this is the same issue, but I've run into a problem where there is a mismatch between atom names and restraints files where some programs use 'primes' and others use asterisks (I assume this is part of ongoing standardization?). The ribose ring goofs it up. Keeping the

Re: [COOT] Failed to match the ligands' atom names

2014-09-13 Thread Eleanor Dodson
Yes - asterisks are now not used.. Eleanor On 13 September 2014 14:54, Shane Caldwell shane.caldwel...@gmail.com wrote: Hi Helena, I'm not sure if this is the same issue, but I've run into a problem where there is a mismatch between atom names and restraints files where some programs use

[COOT] Failed to match the ligands' atom names

2014-09-12 Thread Helena Taberman
Hi, I am using the coot 0.8-pre (revision 5201) version and having problems with my ligand cif files. My ligand is just a common NADP and the atom names at the PDB file match the atom names at the cif file, but for some reason I am not able to do any real space refinement ect. at coot for it