Hi Pavel, 

actually someone already helped me and I managed to get my restraints correctly. 

Thanks anyway, 
Miriam

Inviato da Outlook per Android

From: Pavel Afonine <[email protected]>
Sent: Tuesday, January 7, 2025 6:13:36 PM
To: Miriam Cavinato <[email protected]>; [email protected] <[email protected]>
Subject: Re: [phenixbb] Error phenix refine with ligands
 
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Hi Miriam,

could you please send me the model file directly? You mentioned it was
attached, but I don't see any attachment. I’ll take care of this as soon
as I have the file.

Best,
Pavel

On 1/3/25 06:41, [email protected] wrote:
> Hi everyone,
>
> I am trying to refine my model containing a ligand (a thiophene -like molecule with a 7 carbon atom cycle attached). I create restraints with ready set utility or directly with eLBOW, then I use phenix.refine and I get this error: "fatal problems in interpreting model file: number of atoms with unknown nonbonded energy type symbols: 12 Please edit the model file to resolve the problems or/and supply a CIF file with matching restraint definitions, along with apply_cif_modification and apply_cif_link parameter definition if necessary".
> Another problem is that as soon as I try to open REEL or open any result to check restraints, Phenix crashes...
> I was wondering if someone has the same issue and can help me figure it out! Thanks in advance
>
> Best regards
> Miriam
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