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

2021-08-06 Thread Marina Gárdonyi
I deleted a line in the keyword file which was "pdbout format mmcif". It was my first try to convert the pdb file to an mmcif file, but it did not work! Best Marina Zitat von "Krieger, James M" : It could be good to say how you solved it for future users. Best wishes James On Aug 6,

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

2021-08-06 Thread Marina Gárdonyi
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 managed to

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

2021-08-06 Thread Marina Gárdonyi
Hi, before I will soon finish my PhD, I have to solve one more problem. I managed to refine occupancies and tls in Refmac. I also found out that you can use pdb-extract to convert the pdb file to an mmcif file so that you can validate the structure using the validation server. However,