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Bist

Bist support many of the formalism used to describe molecoles structures like single bond, double bond, stereospecific bond, charges, resonance arrows, lone pairs etc...

It can export both postscript and png formats.

This version is now integrated with openbabel API so virtually all the formats this library can accept should be a valid input for bist too.

Currently portability is not my goal so only GNU/Linux platform is supported. However any effort in this direction is appreciated so feel free to ask me about any porting question. Please remember that bist is actually in a beta stage of development so i strongly suggest you to not using it except for testing or hacking purpose. Bist is free software released under GNU GPL version 3 You must have istalled this software before trying bist to work.

• g++ >= 4.2
• fltk >=1.1.7 && <2.0
• libplot
• expat XML parsing library
• OpenBabel library version 2.x
• libcurl

Feature

• Input in native and more than 20 different formats(CML, XYZ, mol etc.) ;
• export in SVG, PostScript, FIG and PNG format via plotutils;
• simple template system;
• support for i18n;
• plug-in system;
• translation, scaling, flipping, 3D and 2D rotation;
• unlimited undo level;
• parsing of linear fragments (i.e. -CH2CH(C=OOH)2);
• zoom.

TODO list

Short time goals

• strong testing and bug catching;
• better support for i18n (completing castellano, add french and german translation);
• better png rendering;
• embedded (no external libraries) output in CML format;
• manual in html.

Medium time goals

• integration with openbabel

Long time goals

• strong testing and bug catching;
• zoom;
• automatic cleaning structures;
• customizing page size;
• ¹H NMR spectra prediction

Add your favourite "I-can't-live-whithout-it" feature

We need

• beta testers;
• developers;
• translators;
• peoples can make a precompilated binary packet (.deb .rpm ecc...);
• artists can draw a few icon button.

Version 0.1 above you can see a "SN2" mechanism. Here is the generated postscript file.	bist version 0.3
bist version 0.4 Structural formula on right is the expansion's result of the molecular formula on left.	Bist 0.4.6 brand new icons!