ENUMERATION of ISOMERS
EnuMol (Enumerating Molecular Structures)
Returns SMILES list of structures; enumerates molecules containing C,H,O,N and benzene ring
http://sunflower.kuicr.kyoto-u.ac.jp/tools/enumol2/
MOLGEN
http://molgen.de/?src=documents/molgenonline
Online encyclopedia of integer sequences
https://oeis.org/
NANOMATERIALS
Fullerene isomer catalogue (Fortran/C++ program)
http://ctcp.massey.ac.nz/index.php?group=&page=fullerenes&menu=home
Fullerene isomer database (online)
http://www.nanotube.msu.edu/fullerene/fullerene-isomers.html
Zeolite structure database
http://www.iza-structure.org/databases/
ZEOMICS database of zeolites and MOF structures
Can upload *.CIF files
http://helios.princeton.edu/zeomics/
MOFOMICS database
http://helios.princeton.edu/mofomics/
Hypothetical MOFs database
http://hmofs.northwestern.edu/hc/crystals.php
INDUSTRY-SPECIFIC
Mineralogy database
http://webmineral.com/
MICAD (molecular imaging and contrast agent database) has ebook structure
http://www.ncbi.nlm.nih.gov/books/NBK5330/
Wood database
http://www.wood-database.com/
Materials web
http://www.matweb.com/
COMPUTATIONAL
EMSL Basis Set Exchange
https://bse.pnl.gov/bse/portal
Database of Macromolecular Movements
http://www.molmovdb.org/
HBNG - 2D visualization of hydrogen bonding networks in proteins (written in PERL) using Graphviz
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2139992/
HBAT [1], HBPLUS [2], HBexplore [3] and STRIDE [4] programs which create hydrogen bond list files in a .pdb file
JACOB - Just a collection of benchmarks
http://www.wallerlab.org/jacob
GLYCANS and POLYSACCHARIDES
O-GLYCBASE
http://www.cbs.dtu.dk/databases/OGLYCBASE/
CFG - Functional Glycomics Gateway
http://www.functionalglycomics.org/static/consortium/consortium.shtml
Glycan Mass Spectral Database
http://jcggdb.jp/rcmg/glycodb/Ms_ResultSearch
GlycomeDB
www.glycome-db.org/
UniCarbKB
www.unicarbkb.org/
SugaBase (NMR)
http://glycomics.ccrc.uga.edu/GlycomicsPortal/showEntry.action?id=48
PolySacDB (polysaccharides, 3d java structures, x-ray diffraction images)
http://polysac3db.cermav.cnrs.fr/home.html
Glycan structure and modification
http://www.glycanstructure.org/
RNA & DNA
RNA-as-graph pools
http://rubin2.biomath.nyu.edu/
INTERSTELLAR CHEMISTRY
Polyaromatic hydrocarbon infrared spectroscopy database
http://www.astrochem.org/pahdb/
OTHER SMALL DATABASES
Organic compounds database (small)
http://www.colby.edu/chemistry/cmp/cmp.html
LIBRARY
http://prod.sandia.gov/techlib/access-control.cgi/2004/040960.pdf
http://www.site.uottawa.ca/~ivan/F37-polyhex17.PDF
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