Closed wojdyr closed 5 months ago
There was a plan to add modifications for different protonations (for example). Would they go in this file?
If they were to go into mon_lib_list.cif, then yes.
Then should it be something like links_and_modifications.cif or links_mods.cif?
The name can be changed. Of these two, I'd prefer the shorter one.
changed to links_and_mods.cif, as was discussed with Garib
When can we remove links and modifications from mon_lib_list.cif? What is a plan? Until then we will need to maintain two files.
when major programs can read links_and_mods.cif
I can try to change refmac not to read mon_lib_list.cif. To do this we must make sure that refmacat fully replaces refmac5. I think it can be done after ccp4 9 release.
But if refmacat fully replaces refmac5, no change would be needed in refmac5?
İt is true. However, I do not know what happens if I remove this particular file reading. In any case, we want servalcat to replace refmac5, we might need to speed up this.
Added a test for this file
First step in splitting link descriptions out of list/mon_lib_list.cif. For now, the link description is just duplicated:
When we have major programs reading links.cif, this part can be deleted from mon_lib_list.cif.
The goal is to make reading of links faster (in particular, that's important when reading from a web server). The size of links.cif is only 8% of mon_lib_list.cif (312406 vs 3990585 bytes).