There may be a code error in DMFold's MSA_combination.py

[Gary]

Hi, when I read the code, I found a problem, probably an error, about 360+ lines in MSA_combination.py

Code: Select all

fscore=0.0
Nchain=0
for i in range(0,len(nrchains)):
	fscore=copys[nrchains[i]]*pLDDT_dict[nrchains[i]][combined_MSA_Tag[i]]  
	Nchain+=copys[nrchains[i]]

Code: Select all

fscore=copys[nrchains[i]]*pLDDT_dict[nrchains[i]][combined_MSA_Tag[i]]

Should this code be modifyed to

Code: Select all

fscore+=copys[nrchains[i]]*pLDDT_dict[nrchains[i]][combined_MSA_Tag[i]] 

[jlspzw]

Dear Gary,

Thank you for the bug reporting. Yes, it is a typo bug in the code. We have fixed this issue and released new version of DMFold and DeepMSA2 packages.

https://zhanggroup.org/DMFold/download/
https://zhanggroup.org/DeepMSA2/download/

Best Regards
Wei Zheng