X-lab-3D / PANDORA

MODELLER-based, anchor restrained, Peptide-MHC Modelling pipeline
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NetMHCIIpan version is hardcoded in Modelling_functions.py #112

Closed FarzanehParizi closed 2 years ago

FarzanehParizi commented 2 years ago

Find the version of installed NetMHCIIpan automatically

...../PANDORA/PANDORA/Pandora/Modelling_functions.py in predict_anchors_netMHCIIpan(peptide, allele_type, verbose)

--> 123 with open(PANDORA.PANDORA_path + '/../netMHCIIpan-4.0/data/allele.list') as f: 124 for line in f: 125 all_netMHCpan_alleles.append(line.replace('\n', ''))

FileNotFoundError: [Errno 2] No such file or directory: '../PANDORA/../netMHCIIpan-4.0/data/allele.list'

The NetMHCIIpan fails because the version of the installed NetMHCIIpan is different from the one hardcoded in the /PANDORA/Pandora/Modelling_functions.py module. Better to automatically extract the version. The simplest way is to use the exact code in/PANDORA/PMHC/PMHC.py. But the ideal way is to design to put the anchor prediction scripts in a different class (e.g. Anchors). So to reduce redundancy in code (e.g. copying the code to extract the installed version of NetMHcpan/NetMHCIIpan in different scripts)

DarioMarzella commented 2 years ago

Fixed in #196