RosettaCommons / rosetta

The Rosetta Bio-macromolecule modeling package.
https://www.rosettacommons.org
Other
116 stars 55 forks source link

MakeRotLib inquiry #65

Closed MuhammadAttaElhamouly closed 2 months ago

MuhammadAttaElhamouly commented 3 months ago

Good day, I'm working on the incorporation of NCAA into Rosetta, params files were successfully prepared, but in the process of using the MakeRotLib.default.linuxgccrelease application for preparing the rotlib file it gave me the following error message:

ERROR: The residue FFF_p:MethylatedCtermProteinFull_p:AcetylatedNtermProteinFull could not be generated. Has a suitable params file been loaded? (Note that custom params files not in the Rosetta database can be loaded with the -extra_res or -extra_res_fa command-line flags.) ERROR:: Exit from: src/core/chemical/ResidueTypeSet.cc line: 116

Note that the NCAA I'm trying to incorporate have a substitution on the backbone Nitrogen atom, that's why it gives me this message there's no H atom, core.chemical.MutableResidueType: [ ERROR ] atom name : 'H' not available in residue FFF

Furthermore, I tried to recall all the options for this specific application but I didn't find a reliable solution,

Thanks in advance.