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Crystallization:
BMCD: Biological Macromolecule Crystallization Database
Generating your Crystallization Experiments
XACT
- Working with crystallization conditions
Figures of molecules and/or electron density:
Examples of various formats
with scripts
Introduction on making images using O
with examples
Povscript
(from
Dan Peisach
)
See also
Software
two sections below
Stereo images using Molscript or Ribbons
High resolution crystal structures
(Representative set)
Interactive Structure Factor Tutorial
International Union of Crystallography
, and its
Annual Meeting
LLNL Macromolecular Crystallography Web Site
Multiple Anomalous Dispersion (MAD):
MAD
theory and literature
Scaling of MAD data
by Philip R. Evans
Protein Stereochemistry Analysis:
Atlas of side-chain and main-chain hydrogen bonding
DDQ
(van den Akker & Hol (1999) Acta D55: 206-218)
Macromolecular structure validation
(at Rutgers server)
Papers:
Good model-building and refinement practice
PARVATI
from E.A.Merritt
Protein Sidechain Webpage
(by
Roland Dunbrack
)
Secondary structure sketch, using TOPS
(by
Janet Thornton
)
Protein Structure Validation Server
Rotamer libraries (for side chains):
Backbone-dependent rotamer library
(by
Roland Dunbrack
)
De Maeyer Rotamer library
Ponder & Richards rotamer library
Richardson rotamer libraries
(by
David and Jane Richardson
)
Tuffery et al. rotamer library
Tabulated Ramachandran plot outliers
Whatcheck analysis
Twinning:
Bacteriorhodopsin case study
(excellent!)
Data Reduction from Twinned RNA Crystals
(ACA abstract)
Discussion by D. Watkin
Online discussion about twinning
SHELX97
also deals with twinning
Todd Yeates server
DATABASES
Cambridge Structure Database
(CCDC)
DALI
(protein structure comparison)
Databases for Modeling
Database of Interacting Proteins
(DIP)
EC Enzyme Database
Heavy-Atom Databank
Intein database server
(at NEB)
ModBase
- Database of comparative protein structure models
Molecular Structures Database
(free until Sep. 1, 1999)
Nucleic Acid Database
PROMISE
(Prostetic groups and metal ions in protein active sites)
Protein DataBank
(PDB): <
search
>
Detailed transition plans
to Rutgers University
Documentation and Information
ftp to PDB
(archives)
How to link to a specific PDB entry
Molecules R US
(at the NIH)
Molecular Biology Servers, Databases, and Web Sites of Interest
Obsolete PDB entries
(Useful!!)
Processing status
of entries 'ON HOLD'
Search Lite
Submit data
to PDB (AutoDep Input Tool)
Validation server
(AdIt)
RELIBase
(ligand search in PDB)
SOFTWARE
AC3D Modeller
and its
manual
Alscript 2.0
and some
examples
ARP Refinement Program
Babel
Bobscript
CCP4
; its
FAQ
; its
manual
(also in
PDF format
) and its
Newsletter
;
Scala v.2.7.1
(Jan. 2000)
CHIME
(web page interactive manipulation of macromolecules)
Crystallography & NMR Software (CNS)
CNS_solve 0.9
(Yale University site)
Obtaining CNS
DENZO and SCALEPACK
from HKL Research
DINO
surface rendering like GRASP
DPS-MOSFLM
(Data Processing Suite from Purdue Univ.)
ESPOIR
(reverse Monte Carlo with powder diffr. data)
FINDNCS
- NCS finding from heavy atom sites
Gimp
GLRF reference manual
GRASP
or this
additional site
ImageMagick
INSIGHT
(which includes DELPHI)
MAR-Research & software
Molscript
MOSFLM
and its
user manual
O:
Main resources:
|
T.A.Jones
|
M.Kjeldgaard
|
G.Kleywegt
|
Background colour
and
more
by Mark Harris in Uppsula
Ball-interface for O
Essential commands
Extract a sphere of atoms
(script)
FAQ
Figures etc..
Manual
Mouse Function Keys (O 6.2)
Newsgroup archive
O version 7.0
!
OPLOT 1.15
ftp site
Resources by M. Kjeldgaard
Space groups
symmetry operators (230 space groups)
Pine and Pico
POV4GRASP
(POVRAY rendering with GRASP)
POVRAY
and its
manual
Povscript
(from
Dan Peisach
) and
manual
(use it with POVRAY)
Protein-Protein Interaction Server
Rasmol
Raster3D
Rayscript
Rayshade
Replace
which includes GLRF, TF and ANGCAL (from
L. Tong
)
Setor
Shake and Bake
and its anonymous ftp site
nexus.hwi.buffalo.edu
SHARP / BUSTER
SHELX 97-2
SOLVE
SPOCK
surface rendering (use it with raster3d)
Strategy
(manual page)
Structure factor tutorial
Swiss-PdbViewer Art Gallery
TNT
Uppsula Software Factory
:
|
DEJAVU
|
RAVE
|
VOIDOO
|
X-UTIL
|
|
MOLEMAN
|
MAPMAN
|
OOPS
|
SPASM
or
SPASM-ftp
|
Dept Molecular Biology (Uppsala)
Documentation for available softwares
Environment variables
used for RAVE and other programs
HIC-UP
Hetero-compound Information Centre
Tutorials
VMD
X-PLOR
A.T.Brunger's Lab
Department Store
manual (ver. 3.1)
Resources
Topology and Parameter library
XRayView
XtalView
XV
- - -
IUCr list of Software
- - -
Books on Crystallography
Crystals and Crystal Growing
- Alan Holden and Phylis Singer - Lib of Congress # 60-5932
Crystal Structure Analysis - Jenny Pickworth Gluster and Kenneth N. Trueblood - ISBN # 0-19-503531-3
Crystallography Made Crystal Clear
- Gale Rhodes - ISBN # 0-12-587072-8
Crystallization of Nucleic Acids and Proteins
- A. Ducruix and R. Giege' - ISBN # 0-19-963245-6
Introduction to Crystallography
- Donald E. Sands - ISBN # 0-486-67839-3
Methods in Enzymology Vol 114
Diffraction Methods for Biological Macromolecules - ISBN # 0-12-182015-7
Methods in Enzymology Vol 276
Macromolecular Crystallography, Part A - ISBN # 0-12-182177-3
Methods in Enzymology Vol 277
Macromolecular Crystallography, Part B - ISBN # 0-12-182178-1
Practical Protein Crystallography
- 2nd Ed - Duncan E. McRee - ISBN # 0-12-486052-4
Principles of Protein X-Ray Crystallography
- 2nd Ed - Jan Drenth - ISBN # 0-387-98587-5
Protein Crystallization:
Techniques, Strategies, and Tips - Terese M. Bergfors - ISBN # 0-9636817-5-3
Symmetry and Structure
- S. F. A. Kettle - ISBN # 0-471-90501-1 (Cloth) / ISBN # 0-471-90705-7 (Paperback)
The Development of X-Ray Analysis
- Sir Lawrence Bragg - ISBN # o-486-67316-2
Theory of X-Ray Diffraction in Crystals
- William H. Aachariasen - ISBN # 0-486-68363-X
Vectors and Tensors in Crystallography
- Donald E. Sands - ISBN # 0-486-68505-5
X-Ray Diffraction
- B. E. Warren - ISBN # 0-486-66317-5
X-Ray Diffraction in Crystals, Imperfect Crystals and Amorphous Bodies
- A. Guiner - ISBN # 0-486-68011-8
SOME SYNCHROTRON RADIATION SOURCES
ALS
(Berkeley)
APS
(Argonne)
CHESS
(Ithaca)
DESY, Hasylab
(Hamburg)
Elettra (Trieste)
EMBL-Hamburg
ESRF
(Grenoble)
LURE
(Orsay)
KEK
(Tsukuba)
MAXLab
(Lund)
NSLS
(Brookhaven)
SPring-8
(Hyogo)
SRS
(Daresbury)
SSRL
(Stanford)
NSLS newsletter
SDSC site on synchrotron facilities
Synchrotron Beamlines for Macromolecular Crystallography
Biology / Genetics
|
Biology Benchwork
|
BLAST
|
Entrez
|
|
ExPasy & SwissProt
|
IMAGE
|
N.C.B.I.
|
PubMed
|
|
Material Safety Data Sheets
|
Genomes-Entrez
|
BiologyWeek
newsletter
from the
Whitehead Institute for Molecular Research
Biosciences at Harvard
Brutlag
(Bioinformatics)
Centrifuges:
rotor calculation
(rpm and × g calculation for a great variety of rotors)
CNN Science & Technology
Dana-Farber Cancer Institute
Molecular Biology Core Facility
Electron micrographs of organisms
(the Nanoworld Image Gallery)
EMBL-Heidelberg
Eukaryotic organelle genomes
(e.g. mitochondria)
GCG manual
Molecular Virology at the University of Wisconsin
Owl database search
Pedro's BioMolecular Reasearch
Roaches and cockroaches
Signal Transduction Knowledge Environment
(part of Science online)
Visual embryos
BACTERIA
American Type Culture Collection
E. coli
Genetic Stock Center
E. coli
Genome Center
E. coli
Index
(a lot about this bacteria)
E. coli
Open Reading Frames
(very large tables)
Microbial Underground
Salmonella
Genetic Stock Center
Sites with extensive links
Veterinary bacteriology - Dictionary
(French)
Who's who amongst bacteria: (up-to-date)
Bacterial species nomenclature
List of bacterial names with standing in nomenclature
BIOCHEMISTRY
E. coli
metabolism
Enzyme Datasheets:
Wortington Catalog's
SWISS-PORT
search
Metabolic Pathways
(Washington University, DC)
Pathways: glycogen & glucose
(animated glycolysis)
Protein-Diseases Database
Protein Kinase Resource
GENOMICS
Camilla Kao web page with genomics links
Comparative genomics
:
Bacillus subtilis
genome server
Campylobacter jejuni
Corynebacterium diphtheriae
NCTC 13129
Helicobacter pylori
26695
Helicobacter pylori
J99
Mycobacterium tuberculosis
H37Rv
Pseudomonas
Genome Project
Pyrococcus furiosus
and this
additional site
Deborah Schegg's Homepage
DNA microarray & Data analysis
:
Albert Einstein College of Medicine
ArrayExpress Database
ATGC Consortium
Autoscan 1.0
Clustering Analysis
(by
M. Eisen
, Stanford Univ.)
Cornell Univ. site
(by Andreas Matern)
European Bioinformatic Institute
ExpressDB Information Page
(
John Aach
and
Wayne Rindone
, Harvard Univ.)
George Church lab
(Harvard Med. School)
GRID IT
(Viginia Tech / NC State)
M-Guide
: Pat Brown's manual to build and use a microarrayer
Microarray Analysis
(Supplement to Aug. 6, 99 issue of Science)
Microarray Centre - Ontario Cancer Institute
Microarray & Data Analysis
(
Wentian Li
, Rockefeller Univ.)
microarray.org
National Cancer Institute
National Genome Research Institute
Owen, Art
(Reports, course descriptions etc)
Pat Brown's lab
(which includes the microarrayer)
Puces-ADN
(Server at the CNRS, France)
Research Genetics
Seigel-C Protocols
Silicon Genetics
Stanford DNA Microarray Database
Stanford MicroArray Database
GeneCensus Genome Comparison
Gene-Chips.com
(DNA Microarrays)
Microbial genomics
discussion group
Sanger Sequencing Center
TIGR Microbial Genome Database
(completed and in progress)
University of Oklahoma
Advanced Center for Genome Technology
MOLECULAR BIOLOGY
BioCatalog
(molecular biology softwares)
Codon usage of about 5000 organisms
Dana-Farber Cancer Institute
Molecular Biology Core Facility
GCG manual
Intein database server
(at NEB)
Plasmid DNA prep
Restriction Enzyme Database
REBASE
(
New England Biolab
):
.
Comprehensive Enzyme list
Vector Database
at
ATCG
SEQUENCE ANALYSIS & PRESENTATION
AMAS - sequence alignment server by G. Barton
; see also
this page
BLAST
from
N.C.B.I.
BMERC - the PSA protein structure prediction server
(Boston University)
BOXSHADE
(Presentation of sequence alignment)
CATH - Protein structure classification
ExPasy and SwissProt
Motif search
(Stanford University)
Multiple Sequence Alignment
National Center for Biotechnology Information
(NCBI)
ORF's Finder
at NCBI
pI and M.W.
(calculated)
ProSAL
(Protein Sequence Analysis Launcher)
SeqAnalRef
Splice site finder
Threader
YEAST
Deletion Project
and its
search page
Gene-Chips.com
GeneStorm
from
Invitrogen
Introns
MicroArrayer at Pat Brown's lab
and
Botstein's Lab
Survey on microarray technology
Molecular Physiology of CNS development
Proteome Database
Saccharomyces
Genome Database
and its
search SGD page
Yeast gene duplications
Yeast Lab Homepages
Yeast WWW virtual library
DATABASES SEARCHES
Computer Retrieval of Information on Scientific Projects
(C.R.I.S.P.)
ExPASy and SwissProt
Litterature:
CARL
which includes
UnCover
Entrez
Institute for Scientific Information
(ISI) and its
Citation Reference Search
(Also look at
Web of science
(part of Science Citation Index))
PubMed
Material Safety Data Sheets
(searchable)
ModBase
- Database of comparative protein structure models
Molecular Virology at the Univ. Wisconsin
National Center for Biotechnology Information
(N.C.B.I.)
Restriction Enzyme Database:
Comprehensive Enzyme list
within
REBASE
Sequence Retrival System
(SRS5 at EMBL)
Web of science
(part of Science Citation Index)
SOME SCIENTIFIC SOCIETIES
American Association for the Advancement of Science
American Association of Immunologists
American Cancer Society
American Chemical Society
American Crystallographic Association
American Society for Biochemistry and Molecular Biology
American Society for Cell Biology
American Society for Microbiology
Biochemical Society
Biophysical Society
British Society for Antimicrobial Chemotherapy
Canadian Federation of Biological Societies
European Federation of Biotechnology
Federation of American Societies for Experimental Biology
Federation of European Biochemical Societies
International Union of Biochemistry and Molecular Biology
International Union of Crystallography
International Union of Microbiological Societies
National Academy of Sciences
Pittsburgh Diffraction Society
Protein Society
Society for Developmental Biology
Society for Experimental Biology