Installing DICVOL for Powder Diffraction Indexing

The programs DICVOL06 and DICVOL91 are not included in the software distribution, so must be installed. These programs are optional but recommended as they are used in the Materials Science suite for Powder Diffraction Indexing.

For DICVOL06, there are executables available from the web.

For DICVOL91, you will need to compile the code (although there are executables available on the web, they are 32-bit executables and do not work).

DICVOL06

(Linux and Windows only)

Download the DICVOL06 executable

Install the DICVOL06 executables

1. Download the executable from one of the locations listed below.

2. Copy it to a location where users running Maestro have access to it.

3. Set the environment variable SCHRODINGER_DICVOL06_EXEC to the full path to the appropriate executable.

   On Windows and Mac, it can be set on the user's computer; on Linux it is useful if it can be set for all users, for example by adding it to a custom shell script in /etc/profile.d.

DICVOL91

(Linux, Windows, or Mac)

Compile and install DICVOL91

1. Copy the link below and paste into your browser to download the source code:

   http://www.cristal.org/ftp/dicvol91.zip

2. Unzip the file into a suitable location and change to the folder that contains the unzipped files.

3. Compile the code with the following command:

   ifort -o dicvol91.x DICVO*.FOR dicvol91.for

   Note that you must use the Intel ifort compiler; gfortran does not work.

4. Copy the executable to a location where users running Maestro have access to it (if it isn't already in such a location).

5. Set the environment variable SCHRODINGER_DICVOL91_EXEC to the full path to the appropriate executable.

   On Windows and Mac, it can be set on the user's computer; on Linux it is useful if it can be set for all users, for example by adding it to a custom shell script in /etc/profile.d.