This is a demo page that runs myPresto programs on the server side.

Produced by Biomodeling Research Co., Ltd.

This page generates a 3D mol2 file of a compound.

Step-1: Preparation of 2D structure of compound
Draw a 2D structure here

Step-2: Make the 3D structure
Click this button to start calculation.

Status of calculation:

In this server, the following calculations are processed with programs of myPresto.

  1. SMILES to mol2 with Hgene
  2. 3D construction with Hgene
  3. Make topology file with tplgeneL
  4. Energy minimization with cosgene
  5. Make mol2 with tpl2mol2
  6. Add partial charge with Hgene

Step-3: Check mol2 calculated

Step-4: Download mol2 calculated

Step-5: Show 3D compund image
Click this button to start calculation.

Display switch for hydrogen atoms
all none only polar
Click this button to change the switch

This page uses JSME Molecular Editor, which is published under terms of the BSD Licence.
On the server, CGI uses PyMOL and myPresto.
PyMOL is published under a BSD-like license.
myPresto is published under this license (only in Japanese).