Re: [ccp4bb] Error in data reduction!

2019-07-11 Thread Mike Xishan
Dear Helen and Andrew, Thank you very much for your suggestions and help. It is working now and able to run the aimless successfully. Your help is much appreciated Mike On Thu, Jul 11, 2019 at 7:53 PM Helen Ginn wrote: > Dear Mike and Andrew, > > I've since updated to a later version of

Re: [ccp4bb] Error in data reduction!

2019-07-11 Thread Helen Ginn
Dear Mike and Andrew, I've since updated to a later version of ccp4 (7.0.076) and now have the XMLOUT tags specified automatically. Woops! Thanks for that error log Andrew - I had a look at the aimless.script file to see how that filename was generated, and looked up the command on the CCP4

Re: [ccp4bb] Error in data reduction!

2019-07-11 Thread Andrew Leslie
Dear Mike and Helen, As I understand it, the XML is only written when POINTLESS/AIMLESS are run through the CCP4 GUI and the command comes from the GUI script, so there is no way you can turn this off from POINTLESS itself. However, if you use the “Run com file” option from CCP4i GUI, you

Re: [ccp4bb] Error in data reduction!

2019-07-11 Thread Helen Ginn
Dear Mike, No problem! Happy to provide suggestions, though I'd prefer to be addressed directly on here. Here's another suggestion, no promises. If you can provide more detail on the GUI input and the output log files, it would be easier to know why this is happening in the first place.

Re: [ccp4bb] Error in data reduction!

2019-07-11 Thread Mike Xishan
Dear Andrew, Thanks for your suggestion. Yes, you are right that the error is because .xml file is not being written. but not able to find the reasons...I checked...Disk space is free and have permission to write also. I could able to run Pointless, but not Aimless. Any other reason?? Thanks

Re: [ccp4bb] Error in data reduction!

2019-07-10 Thread Andrew Leslie
I think Helen’s answer is absolutely right. I asked Phil Evans about this when I saw him yesterday, and he said that error usually arises when it is not possible to write the xml file, either because a disk is full, or because you do not have permission to write to that area. Andrew > On 3

[ccp4bb] Error in data reduction!

2019-07-03 Thread Mike Xishan
Dear all, Sorry for asking for a very naive question that might be asked before. After integration, I am trying to do "data reduction" through Aimless, but task fails with an error message as #CCP4I TERMINATION STATUS 0 "FILEIO: cannot open file /Processing1_8_pointless.xml I really