Spartan 5.1 User's Guide

Appendix A: Files Associated with Spartan

Files associated with Spartan, which may be customized to control various program functions as well as to set default values, are contained in the directory, spartanrc under the individual user's home directory.

bondlengths

Contains a listing of bond lengths used in the molecular mechanics minimizer in the expert builder.

colors

Sets background and atom colors as well as controls lighting model. Most colors may be set using Colors under the Wavefunction Logo menu and, change the values in the local copy of this file.

hosts

Contains a table of machines available to run the computational parts of Spartan.

interface

Contains default values for the dialogs inside of Spartan's graphical user interface.

preferences

Contains default values for a number of functions associated with Spartan's graphical user interface. Some preferences may be set using Preferences under the Logo menu and change the values in the local copy of this file.

server_init

Contains information needed for setting up host-server connections.

host_init

Contains information specifying the number of list members that can be run on a particular machine during a "basket" submission.

Files associated with Spartan defined by the root user are found under /var/spartan.

job_limit

Sets the maximum number of jobs which can be run simultaneously.

queue

Contains the names of jobs which are currently running and currently pending.

sp_access

Contains hardware-specific Spartan access code.

spartan

Spartan run script.

A number of additional help files are found in the directory Notes.

File_Formats

Information about the contents and formats of Spartan's internal molecule files.

Graphics_ideas

Further information about using Spartan's graphical generation and display capabilities.

Installing_Spartan

Installation instructions for Spartan.

Restarting_Jobs

Information for restarting jobs which have terminated abnormally.

Running_G94

Information for running Gaussian 94 from Spartan, including information running Gaussian 94 on remote machines.

Spartan_Organization

Information relating to the scripts which control execution of Spartan.

Spartan_Queue

Information relating to setting up and using queues in Spartan.

Sybyl_types

Provides a complete listing of SYBYL atom types.

Using_X_Spartan

Information regarding the use of the X-Windows version of Spartan's graphical interface.

Spartan_Multiprocessor

Information relating to running Spartan on shared-memory multiprocessor machines.

Spartan_Multimachine

Information relating to running Spartan in a networked multiple machine environment.


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