Daylight v4.9
Release Date: 1 February 2008

Name

xvpcmodels - pcmodels program using the XView window interface

Unix Synopsis

xvpcmodels [options]

Description

The xvpcmodels program provides interactive access to pcmodels for users in the X-Windows environment (the "xv" prefix stands for "XView"). The window initially displayed when xvpcmodels starts up consists of several pull-down menus and buttons, and two "text panes". Structures must be specified as SMILES in the input text pane. SMILES may be entered graphically via GRINS, lexically by typing directly into the input text pane, or by loading a file containing a SMILES into the input text pane. Model selection and output format are specified by pull-down buttons. Pressing the 'Compute' button runs the model; output is displayed in the output text pane. This man(1) page gives information relevant to invoking the xvpcmodels program. For more information refer to the pcmodels, cmr and clogp user guides.

The following things are required before running xvpcmodels:

a. you are working with an X-Windows display
b. your machine must be licensed for the pcmodels program
The shell script "xvpcmodels4d" is a convenience program for users of SGI's X Windows system using the 4dwm display. It invokes xvpcmodels(1) with several important options that are useful or required on SGI systems. See xvpcmodels4d(1).

Options

GENERAL OPTIONS:
---------------

-DEPICT_HIDE_CHI_H TRUE|FALSE

Do not show implicit chiral hydrogens when not necessary for illustration of stereochemistry. Default FALSE.
-DEPICT_HLEN_PCT [0.67 - 1.00]
Scalar value for shortening the length of bonds to hydrogen. The allowed range is 0.67 (67%) to 1.00 (100%). Default 1.00.
-DEPICT_OLD_STYLE TRUE|FALSE
Use pre-v4.83 bond style renditions. Default FALSE.
-DEPICT_SUPPRESS_LABELS TRUE|FALSE
Suppress atom labelling for chains. Default TRUE.
-FULLSCREENDEBUG TRUE|FALSE
There is a bug caused by an interaction between XView and SGI's X-Window system using the 4dwm window manager -- pressing an XView button causes the window manager to "lock up" permanently. This options, which was originally meant to be used by developers during program debugging, prevents this "lock up". Default: automatically set for different machines (see dy_sysprofile.opt).
-PCMODELS_CLOGPTALK
Location of the clogptalk binary. Default $DY_ROOT/bin/clogptalk
-PCMODELS_CMRTALK
Location of the cmrtalk binary. Default $DY_ROOT/bin/cmrtalk

Files

$DY_ROOT/bin/xvpcmodels

Daylight License

programs: pcmodels

Related Topics

xvpcmodels4d(1) cmr(1) clogp(1) licensing(5)

Daylight Theory Manual

Bugs

See $DY_ROOT/readme-v4xx for the latest list of bugs.