Re: [ccp4bb] Ligand Refinement in coot

2020-05-01 Thread Eleanor Dodson
> Germany > Phone: +49 (0)30 94793-284 > -- > *From:* CCP4 bulletin board on behalf of Muhammad > Bashir Khan > *Sent:* Friday, May 1, 2020 2:25:56 AM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] Ligand Refinement in coot > >

Re: [ccp4bb] Ligand Refinement in coot

2020-05-01 Thread Barone, Matthias
Refinement in coot ReadySet On Thu, Apr 30, 2020 at 6:23 PM Sharan Karade mailto:sharankar...@gmail.com>> 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

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] 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