Re: [ccp4bb] Ligand Refinement in coot

2020-04-30 Thread Muhammad Bashir Khan
ReadySet On Thu, Apr 30, 2020 at 6:23 PM Sharan Karade wrote: > Hi, > I think, you can generate new restrain file for your ligand and load > before you do refine in COOT for next time. I have query that, how did you > generate restrain file for ligand (elbow or readyset in phenix)?. > > > > > O

Re: [ccp4bb] Ligand Refinement in coot

2020-04-30 Thread Sharan Karade
Hi, I think, you can generate new restrain file for your ligand and load before you do refine in COOT for next time. I have query that, how did you generate restrain file for ligand (elbow or readyset in phenix)?. On Thu, Apr 30, 2020 at 5:06 PM Muhammad Bashir Khan wrote: > Hi Folks; > > I

Re: [ccp4bb] 2fofc maps from refmac twinned refinement - clarify?

2020-04-30 Thread Frank von Delft
Thanks all - also for jogging my memory. Peter, I think Garib ended up doing something statistically sophisticated, but I couldn't track down the slides or documentation I remember seeing somewhere.  But I didn't dig very hard, and if it's been there since 2012, then that explains why I failed

Re: [ccp4bb] Ligand Refinement in coot

2020-04-30 Thread Paul Emsley
On 30/04/2020 21:55, Muhammad Bashir Khan wrote: I want to ask about the ligand refinement in coot. Earlier I was able to refine the ligand in the coot using real space refine zone but now by some reason when I want to refine the ligand in coot it asks me "Refinement setup failure failed to

Re: [ccp4bb] Ligand Refinement in coot

2020-04-30 Thread Paul Emsley
On 30/04/2020 21:55, Muhammad Bashir Khan wrote: I want to ask about the ligand refinement in coot. Earlier I was able to refine the ligand in the coot using real space refine zone but now by some reason when I want to refine the ligand in coot it asks me "Refinement setup failure failed to f

[ccp4bb] Ligand Refinement in coot

2020-04-30 Thread Muhammad Bashir Khan
Hi Folks; I want to ask about the ligand refinement in coot. Earlier I was able to refine the ligand in the coot using real space refine zone but now by some reason when I want to refine the ligand in coot it asks me "Refinement setup failure failed to find restrained for XYZ". Do not know what ha

Re: [ccp4bb] ccp4 and ccpEM on same workstation?

2020-04-30 Thread Eugene Osipov
Hi, Sam, it should be fine but as an additional safety measure I would recommend installing miniconda and create separate virtual environment for cryoem related software. чт, 30 апр. 2020 г. в 13:45, Colin Palmer - UKRI STFC < colin.pal...@stfc.ac.uk>: > Hi Sam, > > There is no problem with this:

Re: [ccp4bb] ccp4 and ccpEM on same workstation?

2020-04-30 Thread Colin Palmer - UKRI STFC
Hi Sam, There is no problem with this: CCP-EM is designed to work with CCP4. In fact many of the CCP-EM tasks (such as Refmac) require programs supplied by CCP4, so it’s useful to have both installed. Both packages do supply a version of Coot. They shouldn’t interfere with each other, but if y

[ccp4bb] ccp4 and ccpEM on same workstation?

2020-04-30 Thread Sam Tang
Hi, I'm going to install ccpEM on a same fedora 30 workstation that already has ccp4 will they touch on my pre-existing Coot and Refmac setup? Maybe I'm just worrying too much..? Cheers Sam To unsubscribe from th