Dear all,

I’m trying to write volumetric data in XPLOR format in order to import it into

Chimera for displaying. The volumetric data set is a general volume data set, not necessarily

an electron density map. However, it keeps on failing as Chimera keeps on thinking there

are only 262 data values, whilst expecting 90601 numbers (which is the correct number).

I’m trying to write the XPLOR file in the format given on the CNS web page:

Format of CNS maps

The grid size of the map is determined by the GRID parameter in the FFT statement.

The following lines show the beginning of a typical electron density map file:

2 !NTITLE

REMARKS FILENAME=""

REMARKS DATE:18-Jun-98 12:24:08 created by user:

30 4 12 15 5 10 16 2 12

0.40960E+02 0.18650E+02 0.22520E+02 0.90000E+02 0.90770E+02 0.90000E+02

ZYX

-0.97086E+00-0.49927E+00-0.82774E+00-0.13491E+01-0.57034E+00-0.71253E-01

-0.19491E+00 0.61017E+00 0.10064E+01-0.22888E+01-0.94020E+00 0.77451E+00

0.57539E+00-0.31211E-01-0.27430E+00-0.36526E+00 0.34772E+00 0.81884E+00

-0.19954E+01-0.10117E+01 0.18038E+01 0.19008E+01 0.11886E+00-0.41646E+00

0.47560E-01 0.48855E+00 0.57606E+00-0.22320E+00-0.12787E+01 0.47590E+00

....

-9999

0.2044E-09 0.9999E+00

Is this correct or is Chimera expecting a different format?

Looking forward to your replies!

Many thanks and best wishes,

Matthias

----------------------------------------------------------------------------------------------

Matthias Gutmann Instrument Scientist SXD

Rutherford Appleton Laboratory Phone: +44 (0)1235 44 6397

ISIS Facility Fax: +44 (0)1235 44 5200

Chilton Didcot Office : R3, 1.28

Oxfordshire OX11 0QX Email: Matthias.Gutmann@stfc.ac.uk

UNITED KINGDOM