Hi,
for the simple mol2 file given below, the commands "mol = loadmol2 zn.mol2" or
"loadmol2 mol zn.mol2" causes sleap to crash with the message (version 1.4,
linux64):
sleap: data.cpp:276: void mort::mcmpdata_t::set_s(const mort::hashid_t&, int,
const std::string&): Assertion `absid >= 0 && absid < m_idcounter' failed.
Aborted
Similar on an older binary on OSX:
Assertion failed: (absid >= 0 && absid < m_idcounter), function set_s, file
component.cpp, line 286.
Abort trap
whereas tleap handles it as expected.
thanks for your time!
Floris Buelens
*****************
ZN
1 0 1 0 0
SMALL
No Charge or Current Charge
.<TRIPOS>ATOM
1 ZN 115.3700 70.6000 16.4500 Zn 91 ZN 2.000000
.<TRIPOS>BOND
.<TRIPOS>SUBSTRUCTURE
1 ZN 1 TEMP 0 **** **** 0 ROOT
*****************
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Received on Thu Dec 09 2010 - 05:00:03 PST
