clean

rm -f temp_buf job_submit job_status Vina sum GI50_avg

cd $WORKDIR
rm -f complex_* cores nodes NCI-60_GI50_values
rm -f amber FBE.log NCI60_cell_line *pdb *pdbqt validate_NCI-60_data
rm -f mutated
rm -f *out *err
rm -f postproc  ligand_???.pdbqt complex_???.jo*
rm -f ligands_list word temp_buf AD4_parameters.dat END receptors receptors_expanded
rm -f swiss_repo_entry *.pdb
rm -f  nodes tmp success Vina_run
rm -f Vina.out stop accession_codes amber Chimera_failed_list clean_structures completeness_list
rm -f stop WM COSMIC_token *pdbqt drugname
rm -f job_cancel temp2_buf tmp prep_prot_lig.py
rm -f compute_Gibbs MD_prep MD_run ndx polar apolar potential validate_NCI-60_data drugtype
rm -f mutated wild combo
rm -f cancer_type receptors receptors_expanded relations

cd $vini_dir
rm -f partition workdir tmp tmp2 genename get_cores ${cell_line}_GI50
rm -f seqnames predict exist tmp log ligand_wH.pdb #cleanup
rm -f nohup.out

rm -f $vini_dir/genes/mutations/*
rm -f $vini_dir/genes/expressions/*
rm -f $vini_dir/genes/sequences/*