Model evaluation and manipulation

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Ask about CRYSOL, CRYSON, CIFSUP, CIFOP, DAMAVER, DARA

Last post by AL « 2023.02.23 19:21
Replies: 2
by AL » 2007.08.20 11:58

2 Replies

15432 Views

Last post by AL
2023.02.23 19:21
Why do my SAXS fit chi2 correlate with concentration?

Last post by sammahdi « 2023.06.03 04:10
Replies: 4
by sammahdi » 2023.05.02 04:06

4 Replies

272 Views

Last post by sammahdi
2023.06.03 04:10
Damaver/Damsup atsas 3.0

Last post by TylerMrozowich « 2023.06.01 21:49
Replies: 2
by TylerMrozowich » 2023.05.31 17:59

2 Replies

113 Views

Last post by TylerMrozowich
2023.06.01 21:49
What is r0 and how to manually set it

Last post by AL « 2023.05.02 14:48
Replies: 3
by sammahdi » 2023.04.28 03:49

3 Replies

180 Views

Last post by AL
2023.05.02 14:48
Best practices for solvent density and hydration shell

Last post by sammahdi « 2023.02.27 22:05
Replies: 4
by sammahdi » 2023.02.01 21:07

4 Replies

658 Views

Last post by sammahdi
2023.02.27 22:05
Trouble running SASPy

Last post by AL « 2023.02.23 19:25
Replies: 4
by Noya » 2022.01.12 11:39

4 Replies

1115 Views

Last post by AL
2023.02.23 19:25
How to fix hydration shell for fitting?

Last post by AL « 2023.02.07 12:03
Replies: 5
by sammahdi » 2023.02.05 22:46

5 Replies

334 Views

Last post by AL
2023.02.07 12:03
CRYSOL FIT : which dat file to use

Last post by AL « 2022.12.05 15:48
Replies: 1
by njavid » 2022.11.29 23:54

1 Replies

708 Views

Last post by AL
2022.12.05 15:48
Crysol Errors

Last post by franke « 2022.10.04 12:51
Replies: 2
by tcrmcdonnell » 2022.09.29 20:13

2 Replies

784 Views

Last post by franke
2022.10.04 12:51
error while running crysol

Last post by abbas « 2022.09.13 14:24
Replies: 4
by abbas » 2022.09.05 17:54

4 Replies

559 Views

Last post by abbas
2022.09.13 14:24
CRYSOL 2.8.3 vs 2.8.4 release notes

Last post by AL « 2022.03.25 15:47
Replies: 1
by clb1e21 » 2022.03.14 15:22

1 Replies

1132 Views

Last post by AL
2022.03.25 15:47
CRYSOL - strange behaviour with long molecules

Last post by mawhite « 2022.03.01 18:19
Replies: 3
by polysaccharideGuy » 2019.12.13 01:56

3 Replies

5717 Views

Last post by mawhite
2022.03.01 18:19
Change limits on fitting parameters: command line

Last post by AL « 2021.07.21 16:33
Replies: 1
by dmichala » 2021.06.22 19:29

1 Replies

2486 Views

Last post by AL
2021.07.21 16:33
Resolution parameters in CRYSON at different camera lengths

Last post by mj « 2021.06.04 22:16

by mj » 2021.06.04 22:16

0 Replies

2334 Views

Last post by mj
2021.06.04 22:16
Cryson. Individual chain perdeuteration option

Last post by AL « 2021.05.31 09:51
Replies: 1
by Olga » 2021.05.04 18:32

1 Replies

1992 Views

Last post by AL
2021.05.31 09:51
CRYSOL

Last post by AlinaK « 2021.04.22 09:19
Replies: 4
by AlinaK » 2020.11.30 10:08

4 Replies

2937 Views

Last post by AlinaK
2021.04.22 09:19
Opening and modifying ab initio envelope and model in pymol

Last post by AL « 2021.03.15 21:18
Replies: 3
by asestok » 2021.02.09 03:42

3 Replies

2734 Views

Last post by AL
2021.03.15 21:18
Can someone please evaluate the accuracy of this p24 protein (6mqa) model made on PyMol?

Last post by dibdin « 2020.12.24 20:30

by dibdin » 2020.12.24 20:30

0 Replies

3741 Views

Last post by dibdin
2020.12.24 20:30
Trouble Looping Missing Regions For Subsequent BilboMD

Last post by cjuark « 2020.09.15 21:41
Replies: 1
by cjuark » 2020.09.15 21:20

1 Replies

2386 Views

Last post by cjuark
2020.09.15 21:41
Include explicit water in Crysol

Last post by emartin1 « 2020.04.20 23:49

by emartin1 » 2020.04.20 23:49

0 Replies

5018 Views

Last post by emartin1
2020.04.20 23:49
Trying to run DAMSEL with an input file detailing a bunch of PDB files

Last post by AL « 2020.02.26 16:07
Replies: 1
by PedroJSilva » 2020.02.06 21:15

1 Replies

3118 Views

Last post by AL
2020.02.26 16:07
Running DAMAVER output through DAMMIN for refinement

Last post by cjuark « 2020.02.12 07:00
Replies: 3
by Mr Chips » 2009.10.01 16:34

3 Replies

6535 Views

Last post by cjuark
2020.02.12 07:00
ATSAS 3.0 damaver error

Last post by AL « 2019.11.20 07:10
Replies: 2
by jbhopkins » 2019.11.07 18:21

2 Replies

4219 Views

Last post by AL
2019.11.20 07:10
Tip for Damaver Error: opening amplitudes file

Last post by LFRodrigues « 2019.10.01 17:08

by LFRodrigues » 2019.10.01 17:08

0 Replies

8218 Views

Last post by LFRodrigues
2019.10.01 17:08
cryson output.fit

Last post by SaxsMax « 2019.09.27 16:35
Replies: 1
by sas129 » 2019.09.20 07:55

1 Replies

3473 Views

Last post by SaxsMax
2019.09.27 16:35
Generate theoretical I vs q curves

Last post by AL « 2019.05.31 11:40
Replies: 5
by prithaghosh » 2019.04.25 17:20

5 Replies

15270 Views

Last post by AL
2019.05.31 11:40
Unexpected behavior of CRYSOL

Last post by SaxsMax « 2019.05.13 09:59
Replies: 1
by mattia.b » 2019.05.08 14:26

1 Replies

6150 Views

Last post by SaxsMax
2019.05.13 09:59
CRYSOL error: Fortran run-time error

Last post by asementilli « 2019.04.27 19:37
Replies: 4
by asementilli » 2019.04.13 18:12

4 Replies

8786 Views

Last post by asementilli
2019.04.27 19:37
User control of hydration layer contrast in crysol 3.0

Last post by SaxsMax « 2019.03.21 11:25
Replies: 1
by Maniac_from_CPH » 2019.03.20 17:28

1 Replies

6593 Views

Last post by SaxsMax
2019.03.21 11:25
Contribution of Glycosylation to the Ab initio model

Last post by Jahabla « 2019.03.04 21:58

by Jahabla » 2019.03.04 21:58

0 Replies

13386 Views

Last post by Jahabla
2019.03.04 21:58
resolution effects in Cryson via the fourth column

Last post by anlarsen « 2019.02.06 18:56
Replies: 2
by anlarsen » 2019.01.24 10:06

2 Replies

7436 Views

Last post by anlarsen
2019.02.06 18:56
CRYSOL: Maximum in I(q) at q=0?

Last post by AL « 2019.02.05 11:31
Replies: 1
by dwinogra » 2019.01.19 09:07

1 Replies

6428 Views

Last post by AL
2019.02.05 11:31
How to trim SAXS data that it won't come useless

Last post by AL « 2018.11.14 18:31
Replies: 1
by Mika » 2018.10.16 10:01

1 Replies

8168 Views

Last post by AL
2018.11.14 18:31
Comparison of the fitting results of FoXS and Crysol

Last post by change « 2018.09.28 09:31

by change » 2018.09.28 09:31

0 Replies

15021 Views

Last post by change
2018.09.28 09:31
Appropriate Solvent Density for CRYSOL modeling

Last post by chubetty « 2018.08.20 20:42

by chubetty » 2018.08.20 20:42

0 Replies

15227 Views

Last post by chubetty
2018.08.20 20:42
Criteria for selecting models from Crysol output

Last post by AL « 2018.08.15 13:56
Replies: 2
by asharma » 2018.08.14 16:15

2 Replies

8213 Views

Last post by AL
2018.08.15 13:56
CRYSOL Experimental data fitting

Last post by Somag « 2018.04.26 16:12

by Somag » 2018.04.26 16:12

0 Replies

14614 Views

Last post by Somag
2018.04.26 16:12
Trouble in data collection or analysis

Last post by Hayds « 2018.04.20 12:44
Replies: 2
by kermani » 2018.04.10 22:19

2 Replies

7796 Views

Last post by Hayds
2018.04.20 12:44
CRYSOL with multiple unit cells of PDB structure?

Last post by AL « 2018.03.26 11:42
Replies: 1
by akowals3 » 2018.03.21 23:26

1 Replies

14705 Views

Last post by AL
2018.03.26 11:42
volumes in CRYSON

Last post by Anne M « 2018.02.23 19:14

by Anne M » 2018.02.23 19:14

0 Replies

13331 Views

Last post by Anne M
2018.02.23 19:14
SASREF problem in SASPy

Last post by sasha « 2017.12.18 12:42
Replies: 2
by Pernille » 2017.12.05 13:58

2 Replies

8543 Views

Last post by sasha
2017.12.18 12:42
Deriving chi2 from two SAXS curves

Last post by sanaullah « 2017.10.06 11:08
Replies: 2
by sanaullah » 2017.10.04 15:50

2 Replies

8475 Views

Last post by sanaullah
2017.10.06 11:08
Cryson .fit files 3 or 4 columns

Last post by Anne M « 2017.09.21 15:33
Replies: 2
by Anne M » 2017.09.20 16:03

2 Replies

8043 Views

Last post by Anne M
2017.09.21 15:33
Could we use Crysol with specific Q-ranges

Last post by sanaullah « 2017.09.12 11:17
Replies: 3
by sanaullah » 2016.01.29 16:24

3 Replies

9450 Views

Last post by sanaullah
2017.09.12 11:17
Obtaining Profiles With Explicit Waters

Last post by SaxsMax « 2017.06.19 12:47
Replies: 2
by pmanninghall » 2017.06.01 07:24

2 Replies

8861 Views

Last post by SaxsMax
2017.06.19 12:47
Force enantiomer creation

Last post by sasha « 2017.06.15 15:54
Replies: 6
by tdgrant1 » 2011.10.06 21:34

6 Replies

16484 Views

Last post by sasha
2017.06.15 15:54
Damaver error

Last post by ankimble « 2017.06.05 23:47

by ankimble » 2017.06.05 23:47

0 Replies

13176 Views

Last post by ankimble
2017.06.05 23:47
Volumes used by crysol

Last post by SaxsMax « 2017.05.31 13:49
Replies: 5
by Nicholas » 2017.04.27 14:22

5 Replies

11599 Views

Last post by SaxsMax
2017.05.31 13:49
Atomic form factors and incoherent scattering in Cryson

Last post by SaxsMax « 2017.05.31 12:18
Replies: 1
by anlarsen » 2017.05.30 08:04

1 Replies

7708 Views

Last post by SaxsMax
2017.05.31 12:18
Ignore deuterium in CRYSON

Last post by AL « 2017.05.24 16:09
Replies: 4
by anlarsen » 2017.03.07 11:08

4 Replies

9698 Views

Last post by AL
2017.05.24 16:09

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