On 13/03/2018 07:36, M T wrote:
So finally the solution was easy access...
Thanks to someone who suggest me to do that, I created a new user, to verify if coot was ok under that
session, and it was fine.
Then I went back on my session, I removed the files below:
0-coot-history.py
0-coot-histor
So finally the solution was easy access...
Thanks to someone who suggest me to do that, I created a new user, to
verify if coot was ok under that session, and it was fine.
Then I went back on my session, I removed the files below:
0-coot-history.py
0-coot-history.scm
0-coot.state.py
0-coot.state.s
On 12/03/18 14:05, M T wrote:
> Dear all,
>
> I restart this topic because the problem was finally not solved...
You give me an opportunity to comment, I had previously missed the boat
while traveling.
>
> Summary:
> - I am working on a structure with an unnatural ligand and I want to
> refine th
Dear all,
I restart this topic because the problem was finally not solved...
Summary:
- I am working on a structure with an unnatural ligand and I want to refine
this ligand using coot.
- Each time I try to import the .cif of my ligand produced by PRODRG web
server or through CCP4/ProDrg, coot cr
Last update...
Everything works well with the same files and the same Coot version on an
other computer. The problem may come from the os of my computer which is
too old and has to be upgraded.
Thank you for your help.
2018-03-06 9:20 GMT+01:00 M T :
> Dear all,
>
> I did something very simple.
Dear all,
I did something very simple...
Starting from the pdb I obtained from PRODRG server (manual drawing, then
transfer to PRODRG and download of the pdb from server), in CCP4 I used
ProDrg to generate a new .cif and a new .pdb.
After I used "View Job Results (ew style)" to open my new pdb in
Herman is right - as long as refmac reads your generated DRG that is the
dictionary it will use..
My way of doing this sort of thing:
Start with COOT with the DRG coordinates and ProDRG dictionary and try a
bit of real space refinement.
Coot should move the coodinates a bit and you should see som
PS: If you have two different home-brewn ligands, you have to rename one of
them (pdb and cif), otherwise the same dictionary will be applied to two
different ligands. Also make sure your cif file is a dictionary and not just a
coordinate file.
HS
Von: Schreuder, Herman /DE
Gesendet: Montag, 5.
Hi Colin and Michel,
In my experience, both refmac and coot will use the most recently read-in cif
dictionary and there is no need to try to find an unique identifier for each
new ligand one uses. The new dictionary overrides the old one. Finding a unique
identifier for each new ligand would be
