Search found 13 matches

by change
2018.09.28 09:31
Forum: Model evaluation and manipulation
Topic: Comparison of the fitting results of FoXS and Crysol
Replies: 0
Views: 10520

Comparison of the fitting results of FoXS and Crysol

hi all, I want to do the model validation with Crysol. The model was built by the modeller according to the damfit pdb, and the model has many random coils.When I compared the model to the SAXS data: the crysol Chi^2 is 23.147 and the fitting is bad, but the Chi value is 0.42 with FoXS. I have attac...
by change
2018.09.19 13:23
Forum: ATSAS package in general
Topic: ATSAS-2.8.3 on Mac 10.13.6
Replies: 1
Views: 4577

Re: ATSAS-2.8.3 on Mac 10.13.6

I have solved by myself, when install gnu plot "brew install gnuplot --with-X11"
by change
2018.09.18 15:56
Forum: ATSAS package in general
Topic: ATSAS-2.8.3 on Mac 10.13.6
Replies: 1
Views: 4577

ATSAS-2.8.3 on Mac 10.13.6

Hi all, when I using gnom4 on my mac, there are something wrong happened: "ERROR running Gnuplot. Please check that you are using the appropriate version of Gnuplot - 4.2 or later." My gnu plot is in "/usr/local/bin/gnuplot", and the version is 5.2. I installed my gnu plot by brew install gnuplot. T...
by change
2018.04.25 18:01
Forum: Ab initio shape determination
Topic: how to write the answer file for expert mode of dammin?
Replies: 2
Views: 4914

how to write the answer file for expert mode of dammin?

I have tried many times, but my "expert mode" still can not work as batch mode, instead of the interactive mode. I just want to change the dummy atom radius.
by change
2017.05.23 04:13
Forum: Ab initio shape determination
Topic: Crysol results and the shape from Dammin?
Replies: 1
Views: 5381

Re: Crysol results and the shape from Dammin?

This beads model's NSD value is 0.93. The chi^2 is so small, or overfitting appears!?
by change
2017.05.17 13:46
Forum: Ab initio shape determination
Topic: Crysol results and the shape from Dammin?
Replies: 1
Views: 5381

Crysol results and the shape from Dammin?

Hi everyone, recently I have predicted the tertiary structure of an RNA. Then, I want to pick out the model that fit wit the SAXS data better(use crysol). But when I compare the predicted model(chi^2=0.45, or less than 1) with the Dammin shape, I found that they did not match so well(like the attach...
by change
2017.03.10 14:39
Forum: Primary data processing
Topic: How can I determine the data's Dmax with the ATSAS(2.8)?
Replies: 2
Views: 5866

How can I determine the data's Dmax with the ATSAS(2.8)?

How can I determine the data's Dmax accurately with the ATSAS(2.8)? In which gnom has no interactive mode to view the p(r) function variation while I changing the value of Dmax. Can we trust the results of autorg and datgnom ? Is the Dmax value important for the beads model building? my sparse dat i...
by change
2017.03.03 14:15
Forum: Primary data processing
Topic: why can not use the interactive mode in gnom(2.8)?
Replies: 1
Views: 5200

why can not use the interactive mode in gnom(2.8)?

The gnom5 in atsas 2.8 has no interactive mode, how can I determine the Dmax value accurately?
by change
2017.01.18 10:46
Forum: Model evaluation and manipulation
Topic: Problems of crysol 2.8.0 in Mac 10.12.2 sierra
Replies: 1
Views: 5170

Problems of crysol 2.8.0 in Mac 10.12.2 sierra

When i use the crysol in the interactive mode when it comes to plotting the fit, then a blank sasplot window appeared with no anything else. I do not know Why ???
My files are below.
by change
2017.01.12 06:21
Forum: Model evaluation and manipulation
Topic: Mac 10.12.2 crysol with "****"
Replies: 4
Views: 6670

Re: Mac 10.12.2 crysol with "****"

Thank you! yes I update my ATSAS to 2.80, the installation file is so big about 1GB. however I can get the correct Chi^2 instead of "****",when I lanuched my crysol. btw, when i use the crysol in the interactive mode when it comes to plotting the fit, then a blank sasplot window appeared with no "RG...
by change
2017.01.11 05:37
Forum: Model evaluation and manipulation
Topic: Mac 10.12.2 crysol with "****"
Replies: 4
Views: 6670

Re: Mac 10.12.2 crysol with "****"

>crysol -v
>crysol, ATSAS 2.7.1 (r6670)
>Copyright (c) ATSAS Team, EMBL, Hamburg Outstation 1995-2015

my input files are as follows.
In the mac the Chi^2 is ****; while in my windows the Chi^2 is 4.816
by change
2017.01.10 13:58
Forum: Model evaluation and manipulation
Topic: Mac 10.12.2 crysol with "****"
Replies: 4
Views: 6670

Mac 10.12.2 crysol with "****"

hello, Recently, on mac and centOS6.8 I did the crysol to compare my rosetta results(RNA pdb files) and my SAXS dat file, however the Chi^2 value did not appear and instead with "****"(either command line mode or interactive mode). But when I did the same analysis with windows on the interactively m...