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Welcome => Bug reports => Topic started by: auffinger on June 07, 2013, 10:34:11 am

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Title: rotate_mol small bug
Post by: auffinger on June 07, 2013, 10:34:11 am
Hi Xiang-Jun,

Just ran into a small issue with the new rotate_mol version.
I get a core dump with this file


ATOM     81  H01  DG A   4       0.252  -2.488  17.289  1.00  8.27           H 
ATOM     82  H02  DG A   4       3.942   1.573  19.159  1.00 11.82           H 
ATOM     70  N9   DG A   4       3.496   1.232  18.319  1.00 11.82           N 
ATOM     71  C8   DG A   4       3.617   1.742  17.054  1.00  8.09           C 
ATOM     72  N7   DG A   4       2.902   1.118  16.167  1.00 11.07           N 
ATOM     73  C5   DG A   4       2.252   0.091  16.894  1.00 11.16           C 
ATOM     74  C6   DG A   4       1.310  -0.920  16.456  1.00  9.75           C 
ATOM     76  N1   DG A   4       0.906  -1.749  17.502  1.00  8.27           N 
ATOM     77  C2   DG A   4       1.340  -1.630  18.818  1.00  8.31           C 
ATOM     79  N3   DG A   4       2.218  -0.681  19.223  1.00  9.10           N 
ATOM     80  C4   DG A   4       2.629   0.144  18.209  1.00 10.34           C 

Could you check ???

Thanks,

Pascal
Title: Re: rotate_mol small bug
Post by: xiangjun on June 07, 2013, 10:38:01 am
Thanks for reporting this bug. I'll get it fixed ASAP.

Xiang-Jun
Title: Re: rotate_mol small bug
Post by: xiangjun on June 07, 2013, 02:07:26 pm
Hi Pascal,

I've fixed the bug in rotate_mol and frame_mol which was introduced in the 2013may02 release to retain original residue and atom names. The updated 3DNA v2.1 release is dated 2013jun07. Please have a try and report back any issues you may have.

Thanks, and have a good weekend!

Xiang-Jun

Created and maintained by Dr. Xiang-Jun Lu [律祥俊] (xiangjun@x3dna.org)
The Bussemaker Laboratory at the Department of Biological Sciences, Columbia University.