Sorry for the delay.
Better late than never, perhaps? On 12/01/2022 23:04, Georg Mlynek wrote:
With the help of ccp4 people I created link records to build a large ligand from smaller monomers.One link is FTT-MYR. Cif file attached. I also put this record in the pdb fileLINKR O3 FTT E 2 C1 MYR E 3 FTT-MYRand did Import CIF dictionary in coot with the FTT-MYR.cifHowever doing sphere_refine the restraints seem to be not applied, because the residues are repelled.
I attach my test molecule. I read in your dictionary and did a regularization - it seemed to work fine. (I didn't use sphere refine because I didn't have density).
I am using Coot 0.9.7. Why don't you say what you are using?
What am I doing wrong?Why do I have to import the cif file via File --> Import CIF dictionary in coot and can't just past the cif files in C:\CCP4-7\7.1\Lib\data\monomers\list ?
Does this link exist in mon_lib_list.cif? Coot reads mon_lib_list.cif as it starts up. Paul. ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
FTT_MYR-coot-start.pdb
Description: application/aportisdoc
