DAMMIN start file

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
Post Reply
Message
Author
jbhopkins
Active member
Posts: 25
Joined: 2014.10.22 21:21
Location: BioCAT, Advanced Photon Source

DAMMIN start file

#1 Post by jbhopkins » 2022.07.08 21:40

Hi folks,

A quick question about using a damstart file with DAMMIN. Is specifying a search volume file (--svfile) the same as specifying the Initial DAM in the interactive options?

Thanks.

- Jesse

User avatar
AL
Administrator
Posts: 775
Joined: 2007.08.03 18:55
Location: Hamburg, Germany
Contact:

dammin --svfile damstart.pdb

#2 Post by AL » 2022.07.11 13:22

Yes, running

Code: Select all

dammin --svfile damstart.pdb
is the same as typing 'damstart.pdb' in the interactive mode when asked "Initial DAM: type S for sphere [default], E for ellipsoid, C for cylinder, P for parallelepiped or start file name".

Here, typing 'S' corresponds to using the '--sv=s' option, typing 'E' corresponds to the '--sv=e' option, etc.

jbhopkins
Active member
Posts: 25
Joined: 2014.10.22 21:21
Location: BioCAT, Advanced Photon Source

Re: DAMMIN start file

#3 Post by jbhopkins » 2022.07.11 16:57

Thanks for the clarification! I've been doing refinements in interactive mode, which is a pain. This is much easier. Not sure how I missed that option previously.

User avatar
AL
Administrator
Posts: 775
Joined: 2007.08.03 18:55
Location: Hamburg, Germany
Contact:

Re: DAMMIN start file

#4 Post by AL » 2022.07.15 15:38

jbhopkins wrote: 2022.07.11 16:57Not sure how I missed that option previously.
Well, it was first introduced in ATSAS 3.0.2 :)

Post Reply