DL_POLY-GUI |
Author |
W. Smith, T. R. Forester and I. T. Todorov, STFC Daresbury Laboratory. |
Origin |
W. Smith, STFC Daresbury Laboratory. |
Version |
DL_POLY GUI 2.20 |
Official Web Site |
Brief Program Description |
DL_POLY GUI is a molecular visualization graphical interface for the software DL_POLY and it can used to display molecular structures and to edit them. |
Areas of Application |
The Graphical Molecular Editor, which allows the user to build complex organic structures and replicate them to create systems for simulation with DL_POLY. View - for simply viewing the molecular structure in a DL_POLY CONFIG file and also carrying out certain global operations (i.e. affecting the whole configuration) such as insertion of water molecules, replication etc. which do not change the contents of the CONFIG file as such, but augment them in some way. This mode is equivalent to the previous, sole mode of operation of the Mark I version of the GUI. Edit - for graphically editing the structure of a configuration, changing the identities of molecules or atoms, adding or deleting molecules, parts of molecules or atoms. More information about all the features available can be found in the DL_POLY GUI user manual. |
Implementation and Access |
DL_POLY GUI 2.20 can be accessed on Magellan interactively by typing the command $CHEM/rundlpolygui220. Please note that users must have an X-windows emulator (e.g. Exceed, X11) to be able to use this GUI. |
Machines |
Available on Magellan. |
Documentation |
The DL_POLY GUI user manual is available for download from the DL_POLY web site. Please refer to the DL_POLY man page for more information on accessing the GUI, accessible by typing: man rundlpoly220 . |
Literature References |
References are listed in the DL_POLY GUI User Manual. |
Specialist Support |
N/A |
Program Restrictions and Comments |
N/A |