MS and DMS Files
MS and DMS files contain dot molecular surfaces in the format
output by the programs ms (written by Michael Connolly)
and dms (a reimplementation
available
from the UCSF Computer Graphics Lab).
This format is referred to
as "DMS" below. Such files can also be created with the Chimera tool
Write DMS.
DMS files can be used as input to
sphgen, part of the
DOCK
suite of programs.
In Chimera, there are
several ways to open DMS files. File type is
indicated with a suffix (.ms or .dms, part of the filename)
or a prefix (ms: or dms:, not part of the filename).
Although DMS files contain solvent-excluded molecular surfaces,
they are read into Chimera as VRML models that will not update to reflect
changes in any corresponding atoms.
Only a single color, set when the file is opened, is used.
However, a DMS surface can be associated with a
particular molecule model so that the two cannot be moved
or activated/deactivated
for motion independently.
Surface-related Chimera menu items and the command
surface only apply to
MSMS surfaces,
not VRML surfaces.
Write DMS saves part or all of a
molecular surface
(MSMS model) in Chimera as a DMS file.
Parameters that affect molecular surface geometry
can be adjusted before writing the DMS file.
Since Chimera's surface calculation method differs from that in the program
dms, the dots will not coincide exactly,
but various parameters can be adjusted to make the results
as similar as possible:
- probe radius - the
dms default and Chimera
default are both 1.4 Å. If a different value had been
used with dms, the Chimera setting
can be changed analogously. Probe radius for an existing surface can be
changed in the
MSMS attributes panel, or by
selecting the surface and using
Selection Inspector. The probe
radius to use for subsequently created surfaces can be set in the
New Surfaces preferences.
- vertex density - the
dms default of 1.0 gives
~5 points/Å2 whereas the Chimera default is
2.0 points/Å2. Vertex density in Chimera can be adjusted
as described above for probe radius.
- atomic radii - Chimera default radii
differ from the dms default radii. There may
not be a reason to prefer one set over the other, but if desired, the
radii in Chimera can be changed to the dms default values by using
Define
Attribute to read the assignment file
dmsrad.txt.
There are several ways to start
Write DMS, a tool in the Structure Editing category.
The MSMS surface
of interest should be chosen from the pulldown list.
Options:
- Save normals - include normal vectors
(required by
sphgen)
- Limit output to displayed surface sections
- only write surface vertices that are displayed,
which could include vertices that are invisible due to
clipping or
zoning,
or that simply fall outside the current view.
Display of per-atom surface patches can be controlled with the
surface command or with the
Actions... Surface menu.
Save writes a file using the specified name and location and
dismisses the dialog, while Close simply dismisses the dialog.
Help opens this manual page in a browser window.
UCSF Computer Graphics Laboratory / November 2008