Re: [COOT] Loop truncation modeling in Coot

2020-07-25 Thread Gyanendra Kumar
Hi Yong, Keep the numbering continuous during the coot and Refmac cycles of building and refinement. Refmac will have trouble keeping your model within the electron density map with a break in the chain. So, for now, keep the numbering continuous. Once you are satisfied with your model and ready

Re: [COOT] Loop truncation modeling in Coot

2020-07-25 Thread Eleanor Dodson
Re Refmac - I doubt it would unless you gave a specific LINK 26 C - 40 N type L-peptide.. Not sure of the syntax.. Eleanor On Sat, 25 Jul 2020 at 10:59, Paul Emsley wrote: > On 24/07/2020 14:42, Yong Tang wrote: > > Dear all, I have a loop truncation that could be explained as > >

Re: [COOT] Loop truncation modeling in Coot

2020-07-25 Thread Paul Emsley
On 24/07/2020 14:42, Yong Tang wrote: Dear all, I have a loop truncation that could be explained as ProteinName(1-20)-GSSGSS-(40-500), where residues 21-39 was replaced with a GSSGSS linker. Now the problem is in Coot, how do I define this mutant in a way that I could still preserve the

Re: [COOT] "Irregular" DNA base modeling in Coot

2020-07-25 Thread Paul Emsley
To find variants of nucleic acids: File -> Search monomer library "guanosine 3' " (without the double quotes) -> Search for example. Once you know the 3-letter code/label_comp_id, you can use Replace Residue. Maybe you want 3GP or 3DA. Paul On 24/07/2020 21:47, Yong Tang wrote: Thank

Re: [COOT] COOT's hole show in Pymol

2020-07-25 Thread Paul Emsley
On 25/07/2020 04:37, 陈喆 wrote: I use coot to calculate my protein channel . it worked well .then I want to generate a figure using pymol with small dots calculated by coot. I noticed the output file hole_surface_dots.dat cannot work in pymol. Is there any way to export the coordinates of