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Nic Miloslav, Kosata Bedrich

CrossFire tutorial

Introduction

We hope that this tutorial will become a valuable resource for the chemical community. If you have an idea or an example, please, contribute and share your knowledge with others. Just send us an email with your idea and we will make eventual technical changes and after your permission publish the example under your name in the tutorial.

Some parts are still unfinished, some features does not work yet and only a few examples have been published, but we believe that this material can be already useful.

You can start with example 1 or choose the Examples or Keywords button from the toolbar. You will need the program Chime to see molecules and reactions. Its instalation is very easy. A click on the word Chime opens a new page which gives download instructions. We would love to use a more neutral format than tgf, but at this moment it would be really difficult. We hope that Chemical Markup Language will solve our problems. Meantime we would appreciate, if somebody could offer an advice where to find batch converters from MDL tgf format to another one.