The suite is constituted by two programs (Sir2008 and SirProt) managed by a Graphical User Interface (GUI).
Input data and results are organized in projects. A project is the collection of all files and strategies referred to a structure. The project file name is built adding the suffix ilm to the name of the structure to be solved. The ilm files can be created and modified by means of the GUI
./configure --prefix=destination_directory --srcdir=ilmilione_source_directory FCFLAGS='fortran_flags'
Executable files will be stored in
destination_directory/bin
Be sure that the destination_directory/bin is in the PATH
Options:
Default:
./configure --prefix=$HOME --srcdir=$PWD
If g95 is used
./configure --prefix=$HOME --srcdir=$PWD FCFLAGS='-fno-second-underscore
-fsloppy-char' CPPFLAGS='-DG95' FC=g95
if Intel Fortran (ifort) is used
./configure --prefix=$HOME --srcdir=$PWD FC=ifort
or, on Fedora Core 4,
./configure --prefix=$HOME --srcdir=$PWD FCFLAGS='-no-ipo' FC=ifort
if NAG (f95) is used
./configure --prefix=$HOME --srcdir=$PWD FCFLAGS='-dusty -w' FC=f95
if Lahey (lf95) is used
./configure --prefix=$HOME --srcdir=$PWD FC=lf95
Il Milione is based on phasing methods, algorithms and code developed by the authors.To solve practical problems and to better understand the theoretical bases and the algorithms of il Milione the user may directly contact the following people.
For applicative aspects concerning:
Click on procedures to get help
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Ab Initio approach |
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Mad/Sad technique |
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Mir/Sir technique |
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Miras/Siras technique |
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Molecular Replacement technique |
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Electron Density Modification and FreeLunch technique |
Some theoretical hints on different features used by il Milione follow:
Maria C. Burla, Rocco Caliandro, Mercedes Camalli, Benedetta Carrozzini, Giovanni Luca Cascarano, Liberato De Caro, Carmelo Giacovazzo, Giampiero Polidori, Dritan Siliqi, Riccardo Spagna (2007)
Il Milione: a suite of computer programs for crystal structure solution of proteins
J. Appl. Cryst. (2007). 40, 609-613