|
Pages: [1]
|
 |
|
 Author
|
Topic: problem with FIRST 6.0 (Read 29612 times)
|
moonwoo
Flexible
Posts: 6
|
Hello,
I've installed and tried using FIRST 6.0 and ran into trouble even before analysis. It says
ERROR: The bond distance between intraresidue atoms 338 and 2536 exceeds 6 Angstroms
and wont run any further. I looked at the two atoms and they are not within the same residue.
I went ahead and tried to run FIRST with -bondold but that seems to bring up FIRST 5.2 so I stopped there.
Does anyone have any suggestions for how I should run this? Thanks a bunch~
|
|
|
|
|
Logged
|
|
|
|
|
rader
|
the new bonding scheme implemented in FIRST6.0 tries to bond atoms as in the residue library if they have the same residue number. I would suggest adding a "TER" line between different protein chains to tell FIRST that there was a change in chain ids. See also this post about this: http://flexweb.asu.edu/smf/index.php?topic=120.0 |
|
|
|
|
Logged
|
|
|
|
moonwoo
Flexible
Posts: 6
|
Thanks very much. I have tried that and it worked out fine. However when the program is running it still says FIRST 5.2... hmm I am not sure what to do here but that's ok. Thanks agani for your help
|
|
|
|
|
Logged
|
|
|
|
|
Brandon
|
i have changed the code to reflect the new version ID.
|
|
|
|
|
Logged
|
|
|
|
|
|
Pages: [1]
|
|
|
 |
