CHARMM Related

• Harvard CHARMM Site
• Alex MacKerell's CHARMM Parameter Sets
• Milan's Parallel CHARMM Benchmarks
• CL Brooks Group Homepage (Scripps)
• GAMESS information
• MDL file formats
• CCMS San Diego
  (Computational Center for MacroMolecular Structures)
• Yale Computational Structural Biology Site

Meetings, Societies, Etc.

• Gordon Conferences
• Biophysical Society

Crystal Data and Crystallography

• Brookhaven Protein Data Bank (PDB)
• Rutgers Nucleic acid Data Bank (NDB)
• Crystallographic Web Applets
• IUCr International Union of Crystallography
• Tutorial (rather large) on Unit Cells & Symmetry

Structure and Prediction

• Los Alamos HIV Seq. Data, Nucleic Acid Modeling Tool (NAMOT)
• King's College, London Neural Net
• UCSF Neural Net Structure Prediction
• UCLA/DOE protein fold recognition server
• EMBL Heidelberg WWW Services
• CARBHYD carbohydrate chemistry and structure
• Sugar Momento estimation of sucrose prperties

Useful NIH Links

Links denoted (NIH Only) are generally restricted to machines with NIH supplied IP subnets, or those of organizations with explicit agreements with NIH.

• Literature
  • Web of Science NIH access to ISI databases (NIH Only)
  • NIH Library Online Journals (NIH Only)
  • NLM/NCBI GenBank and more...
  • PubMed WWW version of Entrez
  • InterNet Grateful Med
• General Services
  • NIH HomePage
  • NIH NITAAC Electronic Store
• Molecular Info
  • NIH Molecular Modeling Page
  • NIH Computational Molecular Biology Page
  • DCRT Helix Systems
  • NIH CCDB The Cambridge Structure Database (NIH Only)
  • Docs for the Cambridge Crystal Database
  • NIH/DCRT/LSB Analytical Biostatistics Section
  • NIDDK Crystallographic Site List
  • NIEHS Spectroscopy Site List
• Interest Groups
  • Molecular Modeling Interest Group (MMIG) Homepage (NIH Only)
  • NIH Structural Biology Interest Group
  • NIH X-ray SIG

Search Engines, General Resource Sites

• AltaVista Search Engine
• Lycos Search Engine
• McGill Univ. Physics Around the World Web Site
• Washington Univ. Software Archive
• Yahoo Search Engine
• National Science Foundation
• Britannica Online the encyclopedia
• SCIENCE WEEK Weekly Digest of the News of Science

Scientific Computing

• Benchmarks
  • MDBNCH: A molecular dynamics benchmark
  • SPEC General Computing Benchmarks
  • OpenGL Performance Characterization Project
• Linux
  • Debian GNU/Linux -- The Universal Operating System
  • Focus on Linux - Welcome from The Mining Co.
  • Linux BLAS for PentiumPro and Pentium II
  • LINUX Homepage
  • Linux HOWTOs
  • Linux and UNIX Resources
  • M.H.'s Linux links
  • TCPfix kernel patches for improved Beowulf parallel performance
• Unix, X11, etc.
  • comp.graphics.misc FAQ
  • HP-UX FAQ and PD Software
  • X windows applications FAQ
  • FAQ list on TCP/IP progs for PCs and Macs
  • Unix Guru Universe
  • Unix System Administrator's Resources
  • USAIL: Unix system administration independent learning
  • OpenSSH Secure Shell Information and Software
• Fortran
  • Fortran Market; pointers to freeware and commercial products
  • NETLIB Fortran source repository
• Miscellaneous
  • Geometry Center Computation and Visualization of Geometric Structures
  • FFTW The Fastest (multidimensional) Fourier Transform in the West
  • OSC Computational Chemistry Site
  • PVM Homepage; parallel computing
  • PostScript Net Resources