Molecular surface export file formats

[joanimato]

Please describe the problem or enhancement:

I'm running into a couple of issues when trying to export molecular densities from an SCF calculation. Exporting to CCP4 or CNS file formats seems to produce empty files. Exporting to a TXT file looks like this:

3D Total Electron Density Visible
93 59 87   //nx ny nz
-6.80424 -4.14417 -6.48614   //Origin of the 3D grid
0.14322 0.144182 0.14381   //x increment, y inc, z inc/ grid(x(y(z)))
2.68928e-12 3.78522e-12 5.29213e-12 7.34737e-12 1.01273e-11 
1.38557e-11 1.88133e-11 2.53473e-11 3.38825e-11 4.4931e-11 
5.91008e-11 7.71033e-11 9.97565e-11 1.27983e-10 1.628e-10 
2.05306e-10 2.56647e-10 3.17977e-10 3.904e-10 4.74901e-10 
..... [a lot more rows]

But I'm not quite sure what format that is and what software can open it. Can you provide some explanation on how to read those numbers so I can write my own plotting script if necessary?

Thanks.

If this is a bug report please list the steps required to reproduce the problem:

Export molecular sufrace in txt, ccp4, or cns format from an SCF run in GAMESS

What version of wxMacMolPlt are you running?

7.0

What OS are you using? (please include 32/64 bit and if Linux the specific distribution)

MacOS 64bit

What version of wxWidgets are you using? (Is it a custom build or provided by your OS distro?)

N/A