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t0m

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30th January 2004

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#1 13 years ago

hug you if you can figure out what is wrong with this code: [PHP]COMPND Galactose AUTHOR Revised: Wed Jul 24 10:07:12 2002 using BABEL 1.6 and/or Perl 5.0 HETATM 1 C5 BDGA 1 3.337 1.774 -8.944 1.00 0.00 HETATM 2 H5 BDGA 1 3.271 1.274 -9.929 1.00 0.00 HETATM 3 O BDGA 1 4.702 1.679 -8.463 1.00 0.00 HETATM 4 C1 BDGA 1 5.227 0.338 -8.248 1.00 0.00 HETATM 5 H1 BDGA 1 5.227 -0.208 -9.207 1.00 0.00 HETATM 6 O1 BDGA 1 6.532 0.436 -7.779 1.00 0.00 HETATM 7 HO1 BDGA 1 6.507 0.931 -6.937 1.00 0.00 HETATM 8 C2 BDGA 1 4.345 -0.412 -7.222 1.00 0.00 HETATM 9 H2 BDGA 1 4.452 0.078 -6.233 1.00 0.00 HETATM 10 O2 BDGA 1 4.776 -1.748 -7.109 1.00 0.00 HETATM 11 HO2 BDGA 1 4.208 -2.177 -6.442 1.00 0.00 HETATM 12 C3 BDGA 1 2.854 -0.372 -7.633 1.00 0.00 HETATM 13 H3 BDGA 1 2.727 -0.987 -8.546 1.00 0.00 HETATM 14 O3 BDGA 1 2.063 -0.925 -6.611 1.00 0.00 HETATM 15 HO3 BDGA 1 1.139 -0.907 -6.925 1.00 0.00 HETATM 16 C4 BDGA 1 2.367 1.065 -7.950 1.00 0.00 HETATM 17 H4 BDGA 1 1.340 1.021 -8.364 1.00 0.00 HETATM 18 O4 BDGA 1 2.336 1.802 -6.750 1.00 0.00 HETATM 19 HO4 BDGA 1 1.737 1.334 -6.141 1.00 0.00 HETATM 20 C6 BDGA 1 3.018 3.281 -9.160 1.00 0.00 HETATM 21 H61 BDGA 1 3.805 3.735 -9.772 1.00 0.00 HETATM 22 O6 BDGA 1 1.778 3.456 -9.811 1.00 0.00 HETATM 23 H6 BDGA 1 1.654 4.401 -9.918 1.00 0.00 HETATM 24 H62 BDGA 1 3.014 3.809 -8.202 1.00 0.00 CONECT 24 20 1 0 CONECT 23 22 1 0 CONECT 22 20 1 0 CONECT 21 20 1 0 CONECT 20 1 1 0 CONECT 19 18 1 0 CONECT 18 16 1 0 CONECT 17 16 1 0 CONECT 16 1 1 0 CONECT 16 12 1 0 CONECT 15 14 1 0 CONECT 14 12 1 0 CONECT 13 12 1 0 CONECT 12 8 1 0 CONECT 11 10 1 0 CONECT 10 8 1 0 CONECT 9 8 1 0 CONECT 8 4 1 0 CONECT 7 6 1 0 CONECT 6 4 1 0 CONECT 5 4 1 0 CONECT 4 3 1 0 CONECT 3 1 1 0 CONECT 2 1 1 0 TER [/PHP]




Dipship

Smarter than your average stump.

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26th June 2003

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#2 13 years ago

Uhmm... you spelled connect wrong? :clueless:


When in doubt, gas it!



t0m

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30th January 2004

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#3 13 years ago

=/ Actually, its supposed to be spelt that way in pdb.




t0m

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#4 13 years ago

[PHP]HETATM 1 C5 BDGA 1 3.337 1.774 -8.944 1.00 0.00 HETATM 2 H5 BDGA 1 3.271 1.274 -9.929 1.00 0.00 HETATM 3 O BDGA 1 4.702 1.679 -8.463 1.00 0.00 HETATM 4 C1 BDGA 1 5.227 0.338 -8.248 1.00 0.00 HETATM 5 H1 BDGA 1 5.227 -0.208 -9.207 1.00 0.00 HETATM 6 O1 BDGA 1 6.532 0.436 -7.779 1.00 0.00 HETATM 7 HO1 BDGA 1 6.507 0.931 -6.937 1.00 0.00 HETATM 8 C2 BDGA 1 4.345 -0.412 -7.222 1.00 0.00 HETATM 9 H2 BDGA 1 4.452 0.078 -6.233 1.00 0.00 HETATM 10 O2 BDGA 1 4.776 -1.748 -7.109 1.00 0.00 HETATM 11 HO2 BDGA 1 4.208 -2.177 -6.442 1.00 0.00 HETATM 12 C3 BDGA 1 2.854 -0.372 -7.633 1.00 0.00 HETATM 13 H3 BDGA 1 2.727 -0.987 -8.546 1.00 0.00 HETATM 14 O3 BDGA 1 2.063 -0.925 -6.611 1.00 0.00 HETATM 15 HO3 BDGA 1 1.139 -0.907 -6.925 1.00 0.00 HETATM 16 C4 BDGA 1 2.367 1.065 -7.950 1.00 0.00 HETATM 17 H4 BDGA 1 1.340 1.021 -8.364 1.00 0.00 HETATM 18 O4 BDGA 1 2.336 1.802 -6.750 1.00 0.00 HETATM 19 HO4 BDGA 1 1.737 1.334 -6.141 1.00 0.00 HETATM 20 C6 BDGA 1 3.018 3.281 -9.160 1.00 0.00 HETATM 21 H61 BDGA 1 3.805 3.735 -9.772 1.00 0.00 HETATM 22 O6 BDGA 1 1.778 3.456 -9.811 1.00 0.00 HETATM 23 H6 BDGA 1 1.654 4.401 -9.918 1.00 0.00 HETATM 24 H62 BDGA 1 3.014 3.809 -8.202 1.00 0.00 CONECT 24 20 1 0 CONECT 23 22 1 0 CONECT 22 20 1 0 CONECT 21 20 1 0 CONECT 20 1 1 0 CONECT 19 18 1 0 CONECT 18 16 1 0 CONECT 17 16 1 0 CONECT 16 1 1 0 CONECT 16 12 1 0 CONECT 15 14 1 0 CONECT 14 12 1 0 CONECT 13 12 1 0 CONECT 12 8 1 0 CONECT 11 10 1 0 CONECT 10 8 1 0 CONECT 9 8 1 0 CONECT 8 4 1 0 CONECT 7 6 1 0 CONECT 6 4 1 0 CONECT 5 4 1 0 CONECT 4 3 1 0 CONECT 3 1 1 0 CONECT 2 1 1 0 TER [/PHP]




Rod Menass

공화국의 영원한 주석

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29th March 2005

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#5 13 years ago

That line, right there is wrong. *points*




MrFancypants Forum Admin

The Bad

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7th December 2003

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#6 13 years ago

No idea, I don't even know what kind of language this is. The only thing I notice is that there is no number next to the "O" in the third line. "HETATM 3 O BDGA 1 4.702 1.679 -8.463 1.00 0.00"




t0m

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30th January 2004

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#7 13 years ago
MrFancypantsNo idea, I don't even know what kind of language this is. The only thing I notice is that there is no number next to the "O" in the third line. "HETATM 3 O BDGA 1 4.702 1.679 -8.463 1.00 0.00"

Most people dont yeltongue.gif The number next to that is not neeeded since it is the first oxygen defined.