Re: [ccp4bb] How to generate mask file represented by envelope function

2011-05-23 Thread Pete Meyer
You might want to look into the upsalla compressed mask format (it's an exact representation of a binary mask - compression is handled by just tracking the start and end points of the stretches). Pete Hailiang Zhang wrote: Hi, As I understand, the general molecular mask generated by CCP4 (eg

Re: [ccp4bb] How to generate mask file represented by envelope function

2011-05-20 Thread Hailiang Zhang
Thanks Pavel. Its not huge, but I need to process massive cases. Svergun's envelope function or spherical harmonics expansion provides some concise mask description, but just not sure whether ccp4 or other facilities can generate it handy (from a pdb file to an atomic mask!) Thanks again! Hailian

Re: [ccp4bb] How to generate mask file represented by envelope function

2011-05-20 Thread Pavel Afonine
Hi Hailiang, I guess you can store the map in CCP4 map binary format or convert it into corresponding Fourier map coefficients and store them in MTZ format (note: in this case if you convert them back into a mask it will not be a binary function anymore) - both shouldn't take a huge amount of spac

[ccp4bb] How to generate mask file represented by envelope function

2011-05-20 Thread Hailiang Zhang
Hi, As I understand, the general molecular mask generated by CCP4 (eg sfall+mapmask) are binary mask file which needs lots of memory space. I just wonder whether we can generate some small mask files represented by, say, envelope function (F(sita,psi)) (http://journals.iucr.org/d/issues/2001/10/00