Mol2chemfig Web

Attention!  Achtung!

Mol2chemfig Web comes without any warranty! Feel free to use, share, modify the code at no cost but the use of Mol2chemfig Web in commercial projects is prohibited. If you need to use programs/libraries used to develop Mol2chemfig Web, please contact the corresponding authors directly.

Features

Mol2chemfig Web is a web interface built on top of Mol2chemfig program maintained by Prof. M. Palmer. The main goal of the project is to provide a user-friendly interface for generating and modifying chemical structures depicted in chemfig format for LaTeX documents. Web application includes the following features:

Integrated database search
Finds an inquired coumpound by name and returns a smiles string.

Integrated Chemdoodle sketcher
If a requested compound was not found in the database, a user draws the structure and mol format is generated.

Embeded pdfviewer
After converting of smiles or mol format to chemfig, a pdf file with a resulted structure will be displayed in the pdfviewer.

"Select - Apply" fuctionality
A user can modify the structure by selecting and applying desired options. A newly generated pdf displays all modifications. Currently ten options are present. Other options can be added upon request.

Live updates on chemfig code modifications
A user can modify chemfig code directly (i.e. to change the angle of a bond or to change a functional group). Every single modification is synchronized with pdfviewer.

Notifications via javascript alerts and pdfviewer
If something goes wrong, for example a drawn structure contains a 5-valence carbon or modified chemfig code is broken (cannot generate a pdf), a user will be notified via alerts or pdfviewer.

Contact

Comments, sugestions, bug reporst and constructive criticism are very welcome. Also, if you would like to see more features, do not to hesitate to contact me at py.chemist@gmail.com. The source code of Mol2chemfig Web can be found on this page