Hi,
The ".alm" files produced from CRYSOL contain binary data. Is there a reader that reads these partial amplitudes?
Also, ".flm" files have 6 columns(from line 3 and beyon). My guess is that the first four columns are " l m real(flm) imag(flm) " in that order. Is that correct?
There are two other columns that are always 1 and 0. What do they stand for?
Theoretically, if we plot a surface using these "flm" coefficients, we should get a close approximation to the envelope of the protein. Is that correct?
regards
.alm files in CRYSOL
You may try conv_alm.exe (available on ftp)The ".alm" files produced from CRYSOL contain binary data. Is there a reader that reads these partial amplitudes?
Yes, that is correctAlso, ".flm" files have 6 columns(from line 3 and beyon). My guess is that the first four columns are " l m real(flm) imag(flm) " in that order. Is that correct?
1 0 means that the imaginary part of this harmonic is always zero.There are two other columns that are always 1 and 0. What do they stand for?
In Crysol Flms it is only for Yl0. There were other programs
that output Flms taking symmetry into account, in which case
0 1 distribution is less trivial.
Yes, given that the "resolution" is limited by the order of harmonics and the Fibonacci grid.Theoretically, if we plot a surface using these "flm" coefficients, we should get a close approximation to the envelope of the protein. Is that correct?
conv_alm.exe
I am also interest in reading alm files & are not able to located conv_alm.exe on the ftp server. Can someone help? Nicholas, have you figured out how to read the alm files?
Sebastian
Sebastian