PolyParGen

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Molecule Editor

Step1: Register User here.

Please register only users who use PolyPerGen for the first time.
Please skip this step for already registered users.

Step2: Draw molecule.

Step3: Generate 3D.

Step4: Select version and parameter.


※v2 now supports linear structures. We recommend using v2.


※v2 now supports linear structures.

  Maximum number of the split atom(1~150):
  ※Set when the parameter can not be acquired with LigParGen even with a low number of atoms such as fullerene. Details will be written in v2 thesis

  
  ※To maintain aromaticity etc., maintain ring structure and divide. Parameters can not be acquired for molecules in which condensed rings such as graphene / fullerene occupy most of the structure, and for cross-linked structures. Details will be written in v2 thesis.

Step5: Input e-mail address.

When PolyParGen finished to make OPLS-AA force field parameter file, you are informed by PolyParGen server.

e-mail address: