Please tell me the file extension of Molekel format of cut3d
Posted: Sat Mar 11, 2017 7:18 pm
Dear,
Please tell me the filename extension of 7_Molekel format of cut3d.
Because, I am examining Molekel now and am using 14_Gaussian/cube for file type.
However, a problem occurs when I open file of 14_Gaussian/cube in Molekel.
It cannot use setting of Surfaces → Electron Density with a gray out.
So 7_3D Molekel format file thought when a problem doesn't happen and inquired about it.
If there is an essential solution elsewhere, please tell me.
Best regards,
anemonekgo
===========================================================
#cut3d
What is your choice ? Type:
0 => exit
1 => point (interpolation of data for a single point)
2 => line (interpolation of data along a line)
3 => plane (interpolation of data in a plane)
4 => volume (interpolation of data in a volume)
5 => 3D formatted data (output the bare 3D data - one column)
6 => 3D indexed data (bare 3D data, preceeded by 3D index)
7 => 3D Molekel formatted data
8 => 3D data with coordinates (tecplot ASCII format)
9 => output .xsf file for XCrysDen
10 => output .dx file for OpenDx
11 => compute atomic charge using the Hirshfeld method
12 => NetCDF file
14 => Gaussian/cube wavefunction module
===========================================================
Please tell me the filename extension of 7_Molekel format of cut3d.
Because, I am examining Molekel now and am using 14_Gaussian/cube for file type.
However, a problem occurs when I open file of 14_Gaussian/cube in Molekel.
It cannot use setting of Surfaces → Electron Density with a gray out.
So 7_3D Molekel format file thought when a problem doesn't happen and inquired about it.
If there is an essential solution elsewhere, please tell me.
Best regards,
anemonekgo
===========================================================
#cut3d
What is your choice ? Type:
0 => exit
1 => point (interpolation of data for a single point)
2 => line (interpolation of data along a line)
3 => plane (interpolation of data in a plane)
4 => volume (interpolation of data in a volume)
5 => 3D formatted data (output the bare 3D data - one column)
6 => 3D indexed data (bare 3D data, preceeded by 3D index)
7 => 3D Molekel formatted data
8 => 3D data with coordinates (tecplot ASCII format)
9 => output .xsf file for XCrysDen
10 => output .dx file for OpenDx
11 => compute atomic charge using the Hirshfeld method
12 => NetCDF file
14 => Gaussian/cube wavefunction module
===========================================================
