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.alm files in CRYSOL

Posted: 2008.06.17 20:03
by qwerty
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

Posted: 2008.06.23 11:06
by SaxsMax
The ".alm" files produced from CRYSOL contain binary data. Is there a reader that reads these partial amplitudes?
You may try conv_alm.exe (available on ftp)
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?
Yes, that is correct
There are two other columns that are always 1 and 0. What do they stand for?
1 0 means that the imaginary part of this harmonic is always zero.
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.
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?
Yes, given that the "resolution" is limited by the order of harmonics and the Fibonacci grid.

Posted: 2010.04.06 16:16
by Nicholas
SaxsMax wrote:
The ".alm" files produced from CRYSOL contain binary data. Is there a reader that reads these partial amplitudes?
You may try conv_alm.exe (available on ftp)
Is this still possible? Or is there another way of reading the partial amplitudes?

Nicholas

conv_alm.exe

Posted: 2010.06.01 13:17
by Sebastian
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