#n=25 means a maximum of 25 poses per fragment will be retainedpython Phinder.py -r receptor -l ligand -w output_directory -n 25 Congrats! You have completed your first Phind! Now you can review your Pharmacophores in PyMOL. To do so make sure you have the load_query module for Py...
The most stable structure of the studied molecule was predicted by means of DFT/B3LYP method with cc-pVTZ basis set. The simulated vibrational frequencies were assigned and proved to be in agreement with the available experimental FT-IR data. The effects of gas phase and solvents on UV-visible...