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Description
Hi,
I'm having this error when i try to use cphanalyze,
I'm using 13 .cphlog file treating around 13 titratable residues
Here's the complete error:
Traceback (most recent call last):
File "/pynamd/./scripts/./cphanalyze", line 117, in
tset = TitratableSystemSet.from_cphlogs(args.cphlog, args.json,
File "/pynamd/scripts/pynamd/cphlog.py", line 355, in from_cphlogs
tsys = TitratableSystem.from_cphlog(cphlog, configfiles)
File "/pynamd/scripts/pynamd/cphlog.py", line 1191, in from_cphlog
return cls._from_cphlog(cphlogs, json_data)
File "/pynamd/scripts/pynamd/cphlog.py", line 1171, in _from_cphlog
TitratableResidue(segresidname, states, pKas, occ[:, i:j])
File "/pynamd/scripts/pynamd/cphlog.py", line 1223, in init
self.states = _validate_state_dict(states)
File "/pynamd/scripts/pynamd/cphlog.py", line 50, in validate_state_dict
for k, v in dict.items():
RuntimeError: dictionary keys changed during iteration