Re: [ccp4bb] refmac - use weighting term - pdb to mmcif

shes James On Aug 6, 2021, at 09:27, Marina Gárdonyi <652c4b26eb10-dmarc-requ...@jiscmail.ac.uk> wrote: Hi, as it is often the case, the mail is out and you are able to solve the problem on your own. Thanks anyway! Best Marina Zitat von Marina Gárdonyi <652c4b26eb10-dmarc-

Re: [ccp4bb] refmac - use weighting term - pdb to mmcif

Hi, as it is often the case, the mail is out and you are able to solve the problem on your own. Thanks anyway! Best Marina Zitat von Marina Gárdonyi <652c4b26eb10-dmarc-requ...@jiscmail.ac.uk>: Hi, before I will soon finish my PhD, I have to solve one more problem. I m

[ccp4bb] refmac - use weighting term - pdb to mmcif

the pdb file has a different structure and pdb-extract does not recognize the pdb file as such. Does anyone know the problem and can help me? Best Marina -- Marina Gárdonyi PhD Student, Research Group Professor Dr. Klebe Department of Pharmaceutical Chemistry Philipps-University Marburg

Re: [ccp4bb] How can I refine the occupancy with Refmac?

a record. Sent from ProtonMail mobile Original Message On 5 Jun 2021, 16:39, Marina Gárdonyi wrote: Hello everyone, I am trying to refine structures with Refmac. The problem is that nobody from my working group is familiar with this programm. They are using Phenix exclusively

[ccp4bb] How can I refine the occupancy with Refmac?

for this, but I have no idea how to create such a keyword file. Can someone maybe send me a sample file? I think that would help me. I have found essential keywords, but I don't know how to build up such a file. Thank you very much in advance! Best regards, Marina -- Marina Gárdonyi PhD Student

[ccp4bb] Can twinning be seen in the diffraction pattern?

) and that twinning can probably not be seen in my case. I should have mentioned that the diffraction images came from an in-house x-ray machine, recorded with a 0.5 degree rotation range. Thank you all again! Kind regards, Marina -- Marina Gárdonyi PhD Student, Research Group Professor Dr