Theoretical scattering curves for MONSA

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
Post Reply
Message
Author
susana
Member
Posts: 4
Joined: 2017.01.20 19:19

Theoretical scattering curves for MONSA

#1 Post by susana » 2017.01.20 19:31

Hello everyone.
I'm guessing that I have a heterotrimer of about 38 KDa with ssDNA bound to two of its domains
Can anyone tell me the best way to create a theoretical scattering curve of ssDNA, so that I can used it in MONSA?
Is MONSA the best way to check phase contrast for this particular case?
Thank you

User avatar
AL
Administrator
Posts: 686
Joined: 2007.08.03 18:55
Location: EMBL Hamburg, Germany
Contact:

Re: Theoretical scattering curves for MONSA

#2 Post by AL » 2017.01.24 12:04

susana wrote:Can anyone tell me the best way to create a theoretical scattering curve of ssDNA, so that I can used it in MONSA?
One option is to use CRYSOL and ADDERRORS:

Code: Select all

$ crysol -lm 30 -sm 0.2 -ns 200 ssDNA.pdb
$ adderrors ssDNA00.int --scale 1.0 --output ssDNA.dat

susana
Member
Posts: 4
Joined: 2017.01.20 19:19

Re: Theoretical scattering curves for MONSA

#3 Post by susana » 2017.01.24 14:19

Thanks for the help. Yet, I'm currently running crysol in Debian virtual environment and the last command does not work. Is there any other alternative for the latter. Thank you. Susana

User avatar
AL
Administrator
Posts: 686
Joined: 2007.08.03 18:55
Location: EMBL Hamburg, Germany
Contact:

adderrors

#4 Post by AL » 2017.01.24 15:03

Do you have the latest ATSAS release?
To check your ATSAS version you may use

Code: Select all

$ dammif -v

susana
Member
Posts: 4
Joined: 2017.01.20 19:19

Re: Theoretical scattering curves for MONSA

#5 Post by susana » 2017.01.24 15:36

Hi again, I have the ATSAS 2.7.1. The upgrade should be taken care soon, but in the beamtime, should I follwo the instructions
on viewtopic.php?t=1265 , by deleting the last 3 columns of the .int file? Thanks for the support! Susana

---
Hi again,
I updated ATSAS version to 2.8 and it works fine!!!

Post Reply