You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Currently the code will throw a warning if it finds any non-protein atoms in the residue selection. However the "protein residue" definition in MDA is quite loose, my understanding is that propka only really accepts these:
What would we think about making the check more stringent so that if it finds anything not in that dictionary it throws a warning to telling users to consider renaming residues to their standard value if necessary?
The text was updated successfully, but these errors were encountered:
Currently the code will throw a warning if it finds any non-protein atoms in the residue selection. However the "protein residue" definition in MDA is quite loose, my understanding is that propka only really accepts these:
https://github.com/jensengroup/propka/blob/831e7380689b05892645012766671e2df8a644d8/propka/lib.py#L20-L23
What would we think about making the check more stringent so that if it finds anything not in that dictionary it throws a warning to telling users to consider renaming residues to their standard value if necessary?
The text was updated successfully, but these errors were encountered: