 | PaDEL-ADVFree software to perform virtual screening |
| Download | |
PaDEL-ADV Ranking & Summary
Advertisement
- License:
- Freeware
- Price:
- FREE
- Publisher Name:
- Yap Chun Wei
- Publisher web site:
- http://padel.nus.edu.sg
- Operating Systems:
- Mac OS X
- File Size:
- 10.2 MB
PaDEL-ADV Tags
PaDEL-ADV Description
Free software to perform virtual screening PaDEL-ADV is a free and easy to use Java software to perform virtual screening using AutoDock Vina.Before running PaDEL-ADV, you will need to do the following:· Prepare receptor pdbqt file using AutoDockTools.· Prepare AutoDock Vina configuration file with at least the following information (check AutoDock Vina manual for description of these information).a) receptorb) center_xc) center_yd) center_ze) size_xf) size_yg) size_z· Place all ligands files in a directory. Most common file formats (e.g. MDL mol, SMILES, PDB) and PDBQT files are supported.· Run PaDEL-ADV, fill in all the fields and press the Start button. On completion, a zip file containing results and related files will be created for each ligand. The results from all the ligands will be consolidated into the specified CSV file. Requirements: · Java 6 or later What's New in This Release: · Change the way that the ligand.pdb, stored in the zip file, is generated in order to facilitate RMSD calculations.
PaDEL-ADV Related Software