<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div></div><div><br></div><div>File format data info:</div></div><div><a href="http://www.scl.ameslab.gov/~brett/MacMolPlt">http://www.scl.ameslab.gov/~brett/MacMolPlt</a><br><br>2D and 3D Surfaces (Import and Export)<br><br>MacMolPlt implements a simple format for importing and exporting 2D and 3D surface data. To export a surface first create a surface and make sure that the surface is updated so that the grid data is available for export. Then choose the Export menu command and the Surface export format. MacMolPlt will then export the surface grid data to the file you specify (this is useful to check the input format as well). To import a 2D or 3D surface create a new General 2D or 3D surface. From the surface dialog you can then choose the file containing the grid data. The format for the 2D and 3D files are similar but there are a couple of differences. Floating point numbers may be given in a variety of formats and the grid data may contain any number of values per line. The units for the coordinate system should normally be angstroms.<br><br>For 2D planes the format is:<br><br>1Line Label<br>30 # grid points<br>-4.165882 -4.306789 0.839681 //Origin of the 2D grid<br>0.297019 0.000000 0.000000 //X inc vector<br>0.000000 0.297019 0.000000 //Y inc vector<br>-0.000018 -0.000021... (# of grid points squared grid values)<br><br>For 3D surfaces:<br><br>1 Line label<br>35 12 41 //nx ny nz<br>-4.687880 -1.587537 -5.059790 //Origin of the 3D grid<br>0.280144 0.288642 0.275207 //x increment, y inc, z inc/ grid(x(y(z)))<br>0.000000 0.000000... (nx*ny*nz grid values)<br></div></body></html>