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MolDesign

MolDesign is a 3D graphic tool for building molecular systems from atoms and fragments.

Source: CSE-Online

Features

Input Functions

1. Open input files with varous formats (xyz, ... usingOpenBabel to convert to Mol2 format).
2. Read SMILES notation using the SMICAR tool to convert to 3D structure.
3. Import structure from public databases such as NCI, PubChem.?
   

Display Functions

1. Display in wireframe, Balls&Sticks, Overlapping Spheres.

Edit Functions

1. Change bond and angle values.
2. Add/delete atoms or fragments.
3. Group/Un-group selected atoms into groups.
4. Independently edit structure of a selected group with respect to others.

Export Functions

1. Export 3D coordinates to Gaussian and GAMESS-US GUI's.
2. Save 3D coordinates to a text file in Mol2 format.
3. Save as an image.

Known Problems

MolBuilder Snapshot

MolBuilder  

• MolDesign ? .jpg: