Re: [ccp4bb] TLSANL gives zero off-diagonal ANISOU matrix in CCP4 6.1

2009-05-21 Thread Winn, MD (Martyn)
Apologies, this was a bug introduced by a recent change. It is fixed and will be in 6.1.2 Martyn -Original Message- From: CCP4 bulletin board on behalf of Alejandro Buschiazzo Sent: Thu 5/21/2009 6:26 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] TLSANL gives zero off-diagonal ANISOU

[ccp4bb] TLSANL gives zero off-diagonal ANISOU matrix in CCP4 6.1

2009-05-21 Thread Alejandro Buschiazzo
Dear all, I have observed a strange behavior when using TLSANL (v. 3.8) under CCP4 6.1.0 : using identical input (only coordinates have changed a bit after some TLS+restrained refinement) what used to work perfectly well before (under CCP4 6.0), now gives an evidently wrong calculation, result