Software

Programs for Crystallographic Computing


SAPI (project started in 1985)
        A Multan-based program package. The main programs are written in Fortran. The PC version includes sophisticated graphic interface and is for running under MS Windows 95, 98, NT and 2000 (see details in WinHelp for SAPI).

Main features

  1. Random-starting multisolition direct methods
  2. Automatic Patterson analysis for heavy-atom containing structures
  3. Combination of Patterson and direct methods
  4. Automatic detection and solution of superstructures
  5. Resoving enantiomorphous phase ambiguity
  6. Solving heavy-atom substructures for proteins

* Download the 1995 Windows version of SAPI.
* A CCP4 version of SAPI is available for locating heavy atoms in proteins crystals.

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DIMS (project started in 1991)
        A direct-method program written in Fortran for solving incommensurate modulated structures and composite structures. The program accepts either symmetry generators or the two-line symbol for a 4-dimensional space group. In the latter case, the symbol will be automatically interpreted by the program SPGR4D to yield the correspoding symmetry generators. The result of this program can be automatically interpreted by the program MIMS to obtain a 4D-structure model (4D-modeling in VEC).

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VEC (project started in 1994)
        A program package for visual computing in electron crystallography. The program is mainly written in C++ and is for running under MS Windows 95, 98, NT and 2000.

Main features

  1. Preliminary processing of electron microscope images
  2. Indexing and measurement of electron difffraction patterns
  3. Determination of the defocus value from a single electron microscope image
  4. Direct-method resolution enhancement of electron microscope images
  5. Simulation of dynamical/kinematical electron diffraction patterns and electron microscope images
  6. 2-, 3- and 4-dimensional FFT
  7. 2-dimensional half-tone-graph display of 2-, 3- and 4-dimensional Fourier maps
  8. Contour mapping of 2-dimensional patterns
  9. Automatic determination of atomic modulation curves in an incommensurate modulated structure

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OASIS (project started in 1988)
        A direct-method program for SAD/SIR phasing and fragment extension with and without SAD/SIR information. The program is written in Fortran.

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