Green and Sustainable Chemistry – Softwares and useful links

 

A list of free Chemistry software can be found on http://allserv.rug.ac.be/~tkuppens/chem.shtml.
Site for download freeware programs to write chemical formulas are:

Acceleris Draw 4.1 (Acceleris): http://accelrys.com/products/informatics/cheminformatics/draw/no-fee.php/
ChemDraw (Cambridge Soft): http://scistore.cambridgesoft.com/ 
ChemSketch 8 (ACD): http://www.acdlabs.com/download/

Sites to download freeware programs for tridimensional visualization of molecules (need the relative files in specific format as below indicated) are:

.    MSV (WebLab Viewer binary file format [Microsoft compound document])
·    PDB (Brookhaven Protein Data Bank)
·    MOL (Molecular Design, Ltd. [MDL])
·    CAR (Molecular Simulations, Insight II)
·    CSD (Cambridge Structural Database Crystallographic files)
·    MOL2 (
Tripos)
·    MSF (Molecular Simulations, QUANTA)
·    MSI (Molecular Simulations, Cerius2)
·    CPD (Molecular Simulations, Catalyst)
·    CHM (Molecular Simulations, Catalyst Query)
·    CIF (Crystallographic Information File)
·    XYZ (
generic)
·    SKC (MDL, ISIS)
·    GRD (Molecular Simulations, Insight II Grid File)
·    WVC (
WebLab Viewer Command File)

RasMol http://www.umass.edu/microbio/rasmol/index2.htm

Other useful links related to Chemistry and Chemical Engineering: webresources

 

USEFUL WEBSITES TO ACCESS:

1. ECO-it 1.0 PRé Consulting http://www.pre.nl/eco-it.html
2. EcoManager 1.0 Franklin Associates, Ltd. http://www.fal.com/software/ecoman.html
3. EcoPro 1.5 EMPA http://www.sinum.com/
4. GaBi 3.0 IPTS http://www.pe-product.de/englisch/main/software.htm
5. IDEMAT Delft Univ. of Technology http://www.io.tudelft.nl/research/mpo/idemat/idemat.htm
6. LCAD Battelle/DOE http://www.estd.battelle.org/sehsm/lca/LCAdvantage.html
7. LCAiT 2.0 CIT EkoLogik http://www.ekologik.cit.chalmers.se/lcait.htm
8. REPAQ 2.0 Franklin Associates, Ltd. http://www.fal.com/software/repaq.html
9. SimaPro 4 PRé Consulting http://www.pre.nl/simapro.html
10. TEAM 2.0 Ecobalance http://www.ecobalance.com/software/team/team_ovr.htm
11. Umberto 3.0 IFEU http://www.ifu.com/software/umberto-e/
12. BEES 3.0 http://www.nist.gov
13. WAR GUI 1.0 https://www.epa.gov/chemical-research/waste-reduction-algorithm-chemical-process-simulation-waste-reduction