Dear Zhihong Xin, it is not the difference between operating systems, it is the difference between CCP4 versions that results in different outputs. From your logfiles, your CentOS7 system uses CCP4 8.0.016, whereas your Windows10 system uses CCP4 7.0.075. The two CCP4 versions have different versions of MOLREP (11.9.02 from 28.02.2022 versus 11.7.02 from 29.05.2019). It seems that the authors of MOLREP have changed the code so that "Contrast" is no longer printed out. Some other items are also different, but the best solution that is found by MOLREP is the same:
Nmon RF TF theta phi chi tx ty tz TF/sg wRfac Score
1 19 3 29.30 169.19 82.76 -0.423 0.098 0.307 2.18 0.849 0.316
So I'd say that the "missing contrast" is nothing to worry about. I'd expect
that if you install CCP4 8 in your Windows10 machine, you would get the same output as
from the CentOS7 machine.
Unfortunately, the "best solution" does not appear like a good solution, but
that is a different topic.
Hope this helps,
Kay
On 12/19/23 03:14, 辛志宏 wrote:
Dear Kay, Thank you for your responses. Please find the window10 and Centos7 logfiles in the attachment. Your Best, Zhihong xin From: Kay Diederichs <[email protected]> Date: 2023-12-19 02:35:50 To: [email protected] Subject: Re: [ccp4bb] contrast missing issue>Dear Zhihong Xin,am I understanding correctly that you get very different output, using CentOS7 versus using Windows10, for the exact same calculation? In that case, it seems surprising (to me at least) that it is only the contrast value that is affected. There is not much to work on, from your description. It would help a lot if you could attach the log files to your posting, from both the CentOS7 and the Win10 runs, so that we can compare them. And please make sure that the input (commands and files) to the calculations is exactly the same. Best wishes, Kay On Mon, 18 Dec 2023 16:54:45 +0800, 辛志宏 <[email protected]> wrote:Dear CCP4 development team, I meet an issue when I use the latest version ccp4 8.0 in the Centos 7 system, there is no contrast output item when I try to construct a protein model by molecular replacement with Run Molre-autoMR method, but it works in the win10 system according to the same method, the contrast value output successfully. I reinstall CCP4 in the Centos 7 system again which displayed ccp4 install successfully, but the issue is still there when I run again, are there any solution for the issue?Thanks in advance.Your best Zhihong Xin Nanjing Agricultural University ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
-- Kay Diederichs http://strucbio.biologie.uni-konstanz.de email: [email protected] Tel +49 7531 88 4049 Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz This e-mail is digitally signed. If your e-mail client does not have the necessary capabilities, just ignore the attached signature "smime.p7s". ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
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