Moved SOURCEME.sh to root. Print statement fix

AstraZeneca · Jan 19, 2022 · d3dbc20 · d3dbc20
1 parent 54d7cc3
commit d3dbc20
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Showing 2 changed files with 6 additions and 6 deletions.
diff --git a/peptide_tools_master/SOURCEME.sh → SOURCEME.sh b/peptide_tools_master/SOURCEME.sh → SOURCEME.sh
@@ -7,11 +7,11 @@ ml Biopython
 
 PEPTIDE_TOOLS_PATH=`echo $PWD`
 
-export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/../smi2scrambledfasta_v1.0
-export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/../extn_coeff_fasta_v2.2
-export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/../pI_fasta_v1.4
-export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/../dimorphite_dl_pka
-export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/../rdkit_pI_v3.2
+export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/smi2scrambledfasta
+export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/extn_coeff_fasta
+export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/pI_fasta
+export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/dimorphite_dl_pka
+export PYTHONPATH=${PYTHONPATH}:${PEPTIDE_TOOLS_PATH}/rdkit_pI
 
 ### Example peptide structure
 #----------------------------

diff --git a/peptide_tools_master/peptide_tools_master.py b/peptide_tools_master/peptide_tools_master.py
@@ -69,7 +69,7 @@ def arg_parser():
         smi = INPUT
         molid = 'none'
         fasta = get_fasta_from_smiles(smi)
-        print(smi,fasta)
+        #print(smi,fasta)
         #dict_out_extn_coeff = calc_extn_coeff(fasta)
         l_calc_extn_coeff=True
         l_calc_pI_fasta=False