Re: [ccp4bb] loop building with ARP/wARP - REFMAC/gfortran problem? and work-around

2011-09-07 Thread Saul Hazledine
Hello, Further investigation (and lots of help from Huw Jenkins) has confirmed that the following error: ### CCP4 6.2: Refmac_5.6.0117 version 5.6.0117 : 13/06/11## QUITTING ... ARP/wARP module stopped with an error message: REFMAC5 occurs to most ARP/wARP classic model building jobs wh

Re: [ccp4bb] loop building with ARP/wARP - REFMAC/gfortran problem? and work-around

2011-09-06 Thread Miguel Ortiz Lombardía
On 06/09/11 16:48, Huw Jenkins wrote: > On 25 Aug 2011, at 14:12, Gregory Bowman wrote: > >> When I try to run ARP/wARP classic for loop building, I get the following >> message in the logfile: >> >> QUITTING ... ARP/wARP module stopped with an error message: >> REFMAC > > I get the same error r

Re: [ccp4bb] loop building with ARP/wARP - REFMAC/gfortran problem? and work-around

2011-09-06 Thread Huw Jenkins
On 25 Aug 2011, at 14:12, Gregory Bowman wrote: > When I try to run ARP/wARP classic for loop building, I get the following > message in the logfile: > > QUITTING ... ARP/wARP module stopped with an error message: > REFMAC I get the same error running auto_tracing.sh from ARP/wARP 7.2. (CCP4 6

Re: [ccp4bb] loop building with ARP/wARP

2011-08-25 Thread Victor Lamzin
Dear Greg, Try ARP/wARP 7.2, released a few days ago, which is better, more stable and should have improved flash of error messages to the log files. ARP/wARP Loopy will not build a 33-residue loop at once, but Classic model building may get the gap shortened. Go to www.arp-warp.org for

[ccp4bb] loop building with ARP/wARP

2011-08-25 Thread Gregory Bowman
Hi all, I have a large disordered loop (33aa) for a 2.0 Å dataset for which the rest of the structure is well-defined, and phases are decent (Rwork=19.6, Rfree=24.6). I can see some broken up density at one end, but have been unable to convincingly build into into this region manually. I would