To prepare the input files for VFLP, Do we need to rename the ligand file name’s
( . smi ----> AAAA.0000 (xxxx) ) in input-file folder that names same as todo.all list file (AAAA.0000), located in the ~/templates or should we enter the files name’s (*.smi) to todo file ?.
I specified the collection folder as follows, the input files location is relative to tools folder.
and tested that whether my script is reading input files or not, By commenting out collection_folder line in all.ctrl.
In both cases, the script prepare todo.all , todo.all.xxxx files in the ~ /VFLP-develop/workflow/ligand-collections/.
If I comment out collection folder, the script is not supposed to prepare the files in /VFLP-develop/workflow/ligand-collections/*******. since it is not reading the input files. Correct me, if i am wrong.
If you are runing with VFLP successfully, could you please share the protocol ( input-file preparation) here ?.