I am analyzing multiple pharmacophores (n=8) for 10 ligands. Both datasets are obtained through the 'browse' command. Execution error indicates pharmacophores not found. Inspection indicates looking in process directory (LigandProfiler_2023_12_08_120841_704/Input) rather than browser selected directory. In addition, the search is looking for molalign versions of the input *.ds_chm files.
The tiled output labels for the pharmacophores extend below the display space (example pharmacophore_clus_molalign....) Are these labels printed elsewhere? Otherwise I cannot tell which pharmacophore is associated with each ligand.
Since the search used the 'molalign_clus' pharmacophores, must I include a preprocessing step on the original *.ds_chm file to create the molalign_clus dataset?
Thanks for your help.
David