File Formats supported

The following external formats are supported for input by ATOMS, SHAPE, Vibratz and Cryscon (with some exceptions - for example non-crystallographic formats are not supported by SHAPE and Cryscon).  The various Shape Software programs can read files written by each other.  Cryscon can write crystallographic information in all the applicable formats..

CCDC FDAT  - files from the Cambridge Crystallographic Data Centre.
SHELX (.INS) -  files from the program system of G. Sheldrick.
CIF  - Crystallographic Information Files.
DBWS/LHPM - Rietveld  input files.
ICSD  Inorganic Crystal Structure Database files.
    Original - available on-line through several institutions
    RETRIEVE - current CDROM software format
    CAN/SND - files from Canadian NRC
    WWW - sample database on line
ORTEP  - original or ORTEP II atom information.
XTLVIEW  -  Drawing program.
PDB  - Protein Data Bank files.
RIETAN  - Rietveld program files.
GSAS  -  Los Alamos Lab system - may include magnetic vectors.
AM MINERAL. -  Data files from the American Mineralogist structure data base.
FULLPROF  - All-purpose refinement program - may include magnetic vectors.
Free-form  This allows input of atomic coordinates and other information from almost any source.

Programming Services - Fortran Conversion

Your old scientific Fortran program running in batch mode under DOS or on a mainframe or mini can be converted to run under Windows and/or MacOS with modern interactive input and output.  Graphs can be shown directly on screen and recorded to common file types for presentations or inclusion in publications.

For an estimate of the cost we need the input instructions and an approximate line count.