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Sort by Program
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Description
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Contact
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Alpha Linux
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AutoDock 3.0.5
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Automated Docking of Flexible Ligands to Receptors
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Chris Waddling
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Babel 1.6
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Interconvert a number of file formats currently used in molecular modeling.
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Chris Waddling
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CCP4_5.0 
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A large collection of programs that covers everything from data reduction to refinement
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Seth Harris
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CNS_1.1
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Phasing and refinement program with many useful utilities
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Luke Rice
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EDEN 4.0
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Eden is an implementation of the holographic method to recover the electron densitydistribution of molecules within a crystal.
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Chris Waddling
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EPMR v2.5
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EPMR is a program that finds crystallographic molecular replacement solutions using an evolutionary search algorithm. (Manual PDF)
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Sherry Laporte
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Mosflm 6.2.3
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Data reduction, integration of X-ray data
Bug for Mosflm & SCALA
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Chris Waddling
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NAMD
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NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.
User Guide v2.5b1
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Nobuyuki Ota
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SHARP
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Heavy atom refinement program.
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Tom Lee
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SHELX-97
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Refinement using structure factor summation-mainly for use with high resolution data
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Chris Waddling
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Solve-2.06 &
ReSolve-2.10
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Automated crystollagraphic structure solution for MIR and MAD-locate heavy atoms, calculate phases.
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Chris Waddling
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xplor
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Model refinement
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Nobuyuki Ota
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| PC Linux |
Description
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Contact
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ARP/wARP 6.0
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ARP/wARP , is a program package for protein structure refinement. On-line Manual
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CCP4_5.0
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A large collection of programs that covers everything from data reduction to refinement
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Seth Harris
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CNS_1.1
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Phasing and refinement program with many useful utilities
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Luke Rice
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Denzo 1.97.2
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Data reduction, integration, merging and scaling of X-ray data
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Chris Waddling
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EPMR v2.5
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EPMR is a program that finds crystallographic molecular replacement solutions using an evolutionary search algorithm. (Manual PDF)
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Sherry Laporte
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Mosflm 6.2.3
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Data reduction, integration of X-ray data
Bug for Mosflm & SCALA
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Chris Waddling
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NAMD
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NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.
User Guide v2.5b1
|
Nobuyuki Ota
|
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SHELX-97
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Refinement using structure factor summation-mainly for use with high resolution data
|
Chris Waddling
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Solve-2.06 &
ReSolve-2.10
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Automated crystollagraphic structure solution for MIR and MAD-locate heavy atoms, calculate phases.
|
Chris Waddling
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Vega 1.5.1
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Creates a bridge between most of the molecular software packages
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| SGI IRIX |
Description
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Contact
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AMoRe
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Stand alone molecular replacement package
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Pascal Egea
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ARP/wARP 6.0
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ARP/wARP , is a program package for protein structure refinement. On-line Manual
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AutoDock 3.0.5
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Automated Docking of Flexible Ligands to Receptors
|
Chris Waddling
|
|
Babel 1.6
|
Interconvert a number of file formats currently used in molecular modeling.
|
Chris Waddling
|
|
CCP4_5.0
|
A large collection of programs that covers everything from data reduction to refinement
|
Seth Harris
|
|
CNS_1.1
|
Phasing and refinement program with many useful utilities
|
Luke Rice
|
|
Denzo 1.97.2
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Data reduction, integration, merging and scaling of X-ray data
|
Chris Waddling
|
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EDEN 4.0
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Eden is an implementation of the holographic method to recover the electron density distribution of molecules within a crystal.
|
Chris Waddling
|
|
EPMR v2.5
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EPMR is a program that finds crystallographic molecular replacement solutions using an evolutionary search algorithm. (Manual PDF)
|
Sherry Laporte
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| HOLE2 |
HOLE allows the visualization and analysis of the holes through atomic models of ion channels |
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InsightII v 2000.1
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3D graphical environment for molecular modeling. (Local Access Only)
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Peter Hwang
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LaueView
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Use for data processing of Laue Frames as an alternative to the CCP4 Laue Program Suite
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Pinar Erciyas
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Mosflm 6.2.3
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Data reduction, integration of X-ray data
Bug for Mosflm & SCALA
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Chris Waddling
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NAMD
|
NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.
User Guide v2.5b1
|
Nobuyuki Ota
|
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PHASES
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Bill Furey's program for derivative refinement and some density leveling.
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SHARP
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Heavy atom refinement program.
|
Tom Lee
|
|
SHELX-97
|
Refinement using structure factor summation-mainly for use with high resolution data
|
Chris Waddling
|
|
SnB v2.2
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A dual-space, direct-methods procedure for determination of MIR and MAD heavy atom substructure.
|
Chris Waddling
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|
Solve-2.06 &
ReSolve-2.10
|
Automated crystollagraphic structure solution for MIR and MAD-locate heavy atoms, calculate phases.
|
Chris Waddling
|
|
Vega 1.5.1
|
Creates a bridge between most of the molecular software packages
|
|
|
xplor
|
Model refinement
|
Nobuyuki Ota
|
|
|
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| MacOSX |
Description
|
Contact
|
|
AutoDock 3.0.5
|
Automated Docking of Flexible Ligands to Receptors
|
Chris Waddling
|
|
Babel 1.6
|
Interconvert a number of file formats currently used in molecular modeling.
|
Chris Waddling
|
|
CCP4_5.0
|
A large collection of programs that covers everything from data reduction to refinement
|
Seth Harris
|
|
CNS_1.1
|
Phasing and refinement program with many useful utilities
|
Luke Rice
|
|
EDEN 4.0
|
Eden is an implementation of the holographic method to recover the electron density distribution of molecules within a crystal.
|
Chris Waddling
|
|
Mosflm 6.2.3
|
Data reduction, integration of X-ray data
Bug for Mosflm & SCALA
|
Chris Waddling
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MSMS
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Molecular Surfaces Computation
User Commands
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Pascal Egea
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NAMD
|
NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.
User Guide v2.5b1
|
Nobuyuki Ota
|
|
SHELX-97
|
Refinement using structure factor summation-mainly for use with high resolution data
|
Chris Waddling
|
|
Solve-2.06 &
ReSolve-2.10
|
Automated crystollagraphic structure solution for MIR and MAD-locate heavy atoms, calculate phases.
|
Chris Waddling
|
|
|
|
| TRU64 UNIX |
Description
|
Contact
|
|
ARP/wARP 6.0
|
ARP/wARP , is a program package for protein structure refinement. On-line Manual
|
|
|
AutoDock 3.0.5
|
Automated Docking of Flexible Ligands to Receptors
|
Chris Waddling
|
|
CCP4_5.0
|
A large collection of programs that covers everything from data reduction to refinement
|
Seth Harris
|
|
CNS_1.1
|
Phasing and refinement program with many useful utilities
|
Luke Rice
|
|
Denzo 1.97.2
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Data reduction, integration, merging and scaling of X-ray data
|
Chris Waddling
|
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DockEM
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Quantitatively dock, or fit, a crystal structure into an EM map of a molecular compelx that contains that structure
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Peter Hwang
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EPMR v2.5
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EPMR is a program that finds crystallographic molecular replacement solutions using an evolutionary search algorithm. (Manual PDF)
|
Sherry Laporte
|
|
Mosflm 6.2.3
|
Data reduction, integration of X-ray data
Bug for Mosflm & SCALA
|
Chris Waddling
|
|
PHASES
|
Bill Furey's program for derivative refinement and some density leveling.
|
|
|
SHELX-97
|
Refinement using structure factor summation-mainly for use with high resolution data
|
Chris Waddling
|
|
SnB v2.2
|
A dual-space, direct-methods procedure for determination of MIR and MAD heavy atom substructure.
|
Chris Waddling
|
|
Solve-2.06 &
ReSolve-2.10
|
Automated crystollagraphic structure solution for MIR and MAD-locate heavy atoms, calculate phases.
|
Chris Waddling
|
|
xplor
|
Model refinement
|
Nobuyuki Ota
|
|
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