>>.cube file isosurfaces > > miguel, > > Is gzip compression supported? I ask because cube files can be VERY > big.
Yes, gzip compression of .cube files is automatically supported. So you can compress your .cube files with gzip and Jmol will read the .cube.gz files. This release also supports gzip compression of .pmesh files ... So Jmol will read .pmesh.gz files. I assumed that I had done it earlier but I was mistaken. > There is also the silly aspect that cube files often have "noise" > included. By that I mean lots of essentially zero values in the cube that > nevertheless are expressed with many decimal places! Yes > This means it does not compress. Many years ago, we scanned > the cube for values below a noise threshold, and set them all > to exactly zero. the effect on the compression was > absolutely dramatic! Ahh ... a very good point. "2.96778E-20" -> "0" In fact, one could do the same thing for number above an upper limit ... if all of your immediate edge-connected neighbors are above the limit then you do not participate in the surface and you can become a "1" ... generally a smaller impact but still a big chunk. "6.42625E-01" -> "1" One could then cut the size of the remaining numbers by switching from scientific notation to normal decimal point notation with reduced precision: "3.15151E-02" -> ".0315" This would have absolutely no impact on Jmol the vast majority of c and Java programs would not require any changes. > Needless to say, the program is lost. > I would imagine someone would have reinvented it? If noone has such a program, then *maybe* I'll do it and include it in the Jmol distribution. Tell me some reasonable defaults for: 1. upper limit 2. lower limit 3. digits of precision Miguel ------------------------------------------------------- SF.Net email is sponsored by: Discover Easy Linux Migration Strategies from IBM. Find simple to follow Roadmaps, straightforward articles, informative Webcasts and more! Get everything you need to get up to speed, fast. http://ads.osdn.com/?ad_idt77&alloc_id492&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
