EOM online vs local : different results

Linear (OLIGOMER), and non-linear (MIXTURE) analysis, singular value decomposition (SVDPLOT), addition of missing fragments (BUNCH, CORAL), analysis of flexible systems (EOM/RANCH & GAJOE), flexible refinement of high-resolution models (SREFLEX)
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FrankG
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EOM online vs local : different results

#1 Post by FrankG » 2018.08.27 10:03

Hi everyone,
I'm anoyed regarding EOM online and EOM run "locally" results.
I ran EOM on my computer with default parameters and it's turned out that metrics (Rsigma notably) are differents from those obtained with EOM online.

What could be the reasons ?
What are the EOM online parameters ? (harmonics, number of points etc)

Thank you, :D

Frank
Last edited by FrankG on 2018.08.27 21:03, edited 1 time in total.

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AL
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EOM online command line options

#2 Post by AL » 2018.08.27 15:19

FrankG wrote:
2018.08.27 10:03
I ran EOM on my computer with default parameters and it's turned out that they are totally different from those obtained with EOM online.
Could you please be more specific? Are you sure you are running the latest version of ATSAS?

EOM online runs with arguments like these:

Code: Select all

$ eom sequence.seq --quantity=10000 --filesuffix=web --chain-type=[r|n|c] --symmetry=[symmetry] --overall-symmetry=m --data=experimentaldata.dat
If one or more rigid domains are defined - appropriate -x, -f and -o options are added. See EOM manual for details. The number of harmonics, number of points and some other parameters can be controlled only in the interactive (dialog) mode; in EOM online these parameters will be left default.

FrankG
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Posts: 8
Joined: 2017.05.17 11:02
Location: Lyon

Re: EOM online vs local : different results

#3 Post by FrankG » 2018.08.27 18:48

Hi Al,

Thank you for your answer, I found my error, I've made different runs I just confused between two of them, i'm really sorry ! :oops:

I ran again on my computer (I've got the latest version 2.8.4 on windows 64), with default parameters, the outputs are close but the Rsigma is different, (figures).

What do you think about Rsigma ?

Image

Thanks a lot

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