Re: [ccp4bb] distorted NRQ in JLigand 1.0.40

2015-05-28 Thread Kevin Jude
Thanks Andrey, it seems the sbgrid distribution is a couple of updates behind. On Thu, May 28, 2015 at 8:32 AM, Andrey Lebedev wrote: > > Dear Kevin > > The bug in refmac which was causing this is fixed in ccp4-6.5.010. > So please apply the two last updates and try again. Does it work normally

Re: [ccp4bb] distorted NRQ in JLigand 1.0.40

2015-05-28 Thread Andrey Lebedev
Dear Kevin The bug in refmac which was causing this is fixed in ccp4-6.5.010. So please apply the two last updates and try again. Does it work normally now? Best regards Andrey On 26 May 2015, at 18:36, Kevin Jude wrote: > Dear colleagues, > I'm having an issue with a particular ligand in JLi

[ccp4bb] distorted NRQ in JLigand 1.0.40

2015-05-26 Thread Kevin Jude
Dear colleagues, I'm having an issue with a particular ligand in JLigand 1.0.40. When I load NRQ, the topology is correct but the bond lengths and angles are highly distorted, making it uninterpretable to my eye. A screenshot is viewable at https://www.dropbox.com/s/44nmmc96899o3uo/NRQ.tiff?dl=0.