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

2014-09-13 Thread Oliver Smart
On Sat, 13 Sep 2014, Shane Caldwell 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 'primes' and others use asterisks (I assume this is part of ongoing standardizat

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 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 'primes' and others use

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 r