marnaudi
commented
1 day ago 1) I cloned the repository in my folder 2) I moved in the branch associated with this PR 3) I installed the software according to the INSTALL file guidelines /data/user/marnaudi/mutatex_193/mutatex/ 4) I copied a folder with some mutatex calculations (/data/user/marnaudi/mutatex_193/mutatex/ddg2excel_test) for which I was sure the ddg2excel file worked correctly using the normal environment (source /usr/local/envs/mutatex/bin/activate) 5) I tried the modified version of the code (source /data/user/marnaudi/mutatex_193/mutatex/mutatex-env/bin/activate) but when I run it (ddg2excel -p P54278_607-862_model0_checked.pdb -l mutation_list.txt -d results/mutation_ddgs/final_averages/ -F csv -s)it keeps skipping all the residues generating a energies.csv file with only the header: WARNING: Residue <Residue VAL het= resseq=607 icode= > couldn't be recognized; it will be skipped WARNING: Residue <Residue ALA het= resseq=608 icode= > couldn't be recognized; it will be skipped WARNING: Residue <Residue VAL het= resseq=609 icode= > couldn't be recognized; it will be skipped WARNING: Residue <Residue LYS het= resseq=610 icode= > couldn't be recognized; it will be skipped WARNING: Residue <Residue ILE het= resseq=611 icode= > couldn't be recognized; it will be skipped WARNING: Residue <Residue ASN het= resseq=612 icode= > couldn't be recognized; it will be skipped WARNING: Residue <Residue LYS het= resseq=613 icode= > couldn't be recognized; it will be skipped WARNING: Residue <Residue LYS het= resseq=614 icode= > couldn't be recognized; it will be skipped WARNING: Residue <Residue VAL het= resseq=615 icode= > couldn't be recognized;
mtiberti
fixes #191