Hi,
I'm having some trouble with some code I'm using in Unity with C#.
Simply put, the code attempts to display a ligand and the surrounding protein
residues within 5 angstroms.
Unfortunately, I'm getting very strange errors and inconsistent ones at that.
When I take a gander at my debug log, the stack trace shows the last functions
attempted before crash; either GetAtoms() or GetResidue(). Also, when I ran an
assembly debug, the error was an access violation from openbabel_csharp at
0x........
The hex didn't indicate that it might have been a null pointer exception issue
and I confirmed through some print statements that it really couldn't be
possible.
Below is the code:
/**********************************************************************************************************************/
//ligandVec and proteinVec are lists of Vector3s taken during the main
loop so I could do this analysis
if (ligandVec.Count != 0 & proteinVec.Count != 0)// simple check for
list size ensure no bound issues
{
for (int i = 0; i < ligandVec.Count; i++)
{
for (int k = 0; k < proteinVec.Count; k++)
{
float dis = 5;
if (Vector3.Distance (ligandVec [i],
proteinVec [k]) <= dis & proteinResAt[k] == true)
{
//Add all atoms in residue to a
tempList to be used later in the toggle section
//This is where most of my
issues show up where if I were to store the atoms from the residue like so:
test =
proteinAtom[k].GetResidue().GetAtoms(); //test being a VectorpAtom
for(int j = 0; j < test.Count;
j ++)
tempList.Add(test[j]);
}
}
}
}
/*********************************************************************************************************************/
I apologize for my code formatting; Outlook hasn't been very accommodating for
my code. :/
If anyone has any suggestions or possible solutions I would be very grateful.
:) Also, if you have any further questions to explain a bit more feel free.
Brian Adams
B.A. in Computer Science
Duquesne University
Phone: 412-926-0430
e-mail: adam...@duq.edu
------------------------------------------------------------------------------
What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
patterns at an interface-level. Reveals which users, apps, and protocols are
consuming the most bandwidth. Provides multi-vendor support for NetFlow,
J-Flow, sFlow and other flows. Make informed decisions using capacity
planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
