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> dm: freemask - cannot get free sphere: Use SOLIN mask or REAL card
Oops... forgot to send a reply to the bb on this...
Basically what is happening is that two sample spheres, one in the
protiein and one in the solvent are used to calculate a free density
residual. This is used to terminate the calculation before phase bias
and overweighting set in. However, as the solvent mask refines, it is
sometimes possible that the mask may change enough that the test
spheres are no longer in solvent or protein as required. The easy
solution is to specify a fixed number of cycles, thus turning off the
dependence on the free indicators.
There is a keyword to get round this problem in the forthcoming dm2.0,
but it isn't quite ready yet.
In the meantime, I've but a dm2.0 html logfile on the web. It's just a
proof-of-concept for other ccp4 programs, and isn't anywhere near as
explanatory as the SHARP logfiles. But it does feature a cute Java
applet to display LogGraphs in-line :) The URL is: