fix coeffs location

Author: simonbray

chemicaltoolbox/lirasearch/lirasearch.xml

@@ -17,7 +17,7 @@
             python -m esp_dnn.predict -m ligand -i . -o . &&
             esp-surface-generator ligand.pdb.pqr ligand.pdb.tmesh &&
             sh-coeff-calculator . &&
-            micromamba run -n lirasearch python /opt/scripts/lira_search_sdf.py --in_file rid_coeffs.csv --out_file output --out_keys keys.txt --database /opt/storage/rid_coeffs.csv --num_results $num_results &&
+            micromamba run -n lirasearch python /opt/scripts/lira_search_sdf.py --in_file rid_coeffs.csv --out_file output --out_keys keys.txt --database ${database_select.fields.path}/rid_coeffs.csv --num_results $num_results &&
 	    mkdir search_results && rocksdb_to_sdf ${database_select.fields.path} keys.txt search_results &&
 	    micromamba run -n lirasearch python /opt/scripts/lira_super.py --target ligand.pdb --folder search_results &&
             cat search_results/*rotated.sdf >> '$output_sdf'