[ccp4bb] anisotropic temp for H2O

2009-08-27 Thread Elad Binshtien
Dear all, I run refmac5 on TLS & restrained refinement mode. my pdb input file contain anisotropic temp for the amino acid and isotropic temp for the cofactors and water. The refinement parameters is set on mixed isotropic/ anisotropic temp and in TLS parameters the check box add TLS contributio

[ccp4bb] find water in refmac5

2009-08-07 Thread Elad Binshtien
Dear all, I am using Refmac_5.5 in win OS. in the  linux version ther is a option to asked the program to find a water (with coot i think) . how can i do it in the win version? Thank you in advance for your any helpful suggestions.  Best, Elad Elad Binshtein Ph.D student Department of Li

[ccp4bb] refmac failed message

2009-07-30 Thread Elad Binshtien
Dear all, I am refining a structure in Refmac at 2.2 A in win OS.  However, Refmac failed and send this message:        forrtl: error (72): floating overflow  Thank you in advance for your any helpful suggestions.  Best, Elad Elad Binshtein Ph.D student Department of Life Science Ben G