Grade Web Server http://grade.globalphasing.org grade -in upload.mol2 -resname SEI

Input is not a known PDB chemical component
Number of restraints found:
Bond lengths
lengths/sigmas set by mogul 45
bonds to hydrogen set to neutron values 43
bonds lengths set by partial QM 4
Bond Angles
angles/sigmas set by mogul 59
non-H angles set by partial QM 14
H bond angles set by partial QM 98
Trigonal planes (atoms bonded to 3 others that are held flat)
trigonal atoms from 3 mogul bond angles 8
atoms NOT trigonal from 3 mogul angles 0
trigonal atoms from partial QM 6
atoms not trigonal from partial QM 0
Torsions and 1-4 planes
bonds where mogul states cis/trans 3
bonds mogul indicates flat 4
bonds mogul indicates 3-fold staggered 1
bonds mogul indicates not flat 0
in flat 5/6 membered rings after PQM 0
other flat bonds after partial QM 4
sp3-sp3 set 3-fold staggered by QM 6
All other torsions (unrestrained) 25
Mogul version used: /home/software/xtal/CSD/2012/20120127/csd/as533be
GEN: Generated by GRADE 1.1.1 from mol2 file upload.mol2 using mogul+qm
For help and further details see grade section on the BUSTER wiki.
Please email buster-develop@globalphasing.com with any problems, queries or suggestions.