experiment
Qwen3.8 makes coffee
Qwen 3.8 Max can reason its way in building a caffeine molecule
Qwen 3.8 max just came out and I wanted to check if it can make me a coffee. Here is the caffeine molecule:
caffeine.pdb · 65 lines
HEADER CAFFEINE 01-JAN-25 CFF
TITLE 1,3,7-TRIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE (CAFFEINE), C8H10N4O2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CAFFEINE;
COMPND 3 CHAIN: 500;
SOURCE MOL_ID: 1;
KEYWDS PURINE ALKALOID, XANTHINE, METHYLXANTHINE
EXPDTA THEORETICAL MODEL
AUTHOR GENERATED
REVDAT 1 01-JAN-25 0
HET CFF 24
HETNAM CFF CAFFEINE
FORMUL 1 CFF C8 H10 N4 O2
HETATM 1 N1 CFF 500 0.436 1.682 0.000 1.00 0.00 N
HETATM 2 C2 CFF 500 -0.934 1.682 0.000 1.00 0.00 C
HETATM 3 O2 CFF 500 -1.549 2.747 0.000 1.00 0.00 O
HETATM 4 N3 CFF 500 -1.619 0.495 0.000 1.00 0.00 N
HETATM 5 C4 CFF 500 -0.934 -0.691 0.000 1.00 0.00 C
HETATM 6 C5 CFF 500 0.436 -0.691 0.000 1.00 0.00 C
HETATM 7 C6 CFF 500 1.121 0.495 0.000 1.00 0.00 C
HETATM 8 O6 CFF 500 2.351 0.495 0.000 1.00 0.00 O
HETATM 9 N7 CFF 500 0.862 -2.004 0.000 1.00 0.00 N
HETATM 10 C8 CFF 500 -0.279 -2.743 0.000 1.00 0.00 C
HETATM 11 N9 CFF 500 -1.361 -2.004 0.000 1.00 0.00 N
HETATM 12 H8 CFF 500 -0.293 -3.823 0.000 1.00 0.00 H
HETATM 13 C10 CFF 500 1.161 2.938 0.000 1.00 0.00 C
HETATM 14 H101 CFF 500 1.038 3.428 0.966 1.00 0.00 H
HETATM 15 H102 CFF 500 0.771 3.583 -0.787 1.00 0.00 H
HETATM 16 H103 CFF 500 2.219 2.747 -0.178 1.00 0.00 H
HETATM 17 C11 CFF 500 -3.069 0.495 0.000 1.00 0.00 C
HETATM 18 H111 CFF 500 -3.433 0.144 0.966 1.00 0.00 H
HETATM 19 H112 CFF 500 -3.433 -0.165 -0.787 1.00 0.00 H
HETATM 20 H113 CFF 500 -3.433 1.507 -0.178 1.00 0.00 H
HETATM 21 C12 CFF 500 2.229 -2.488 0.000 1.00 0.00 C
HETATM 22 H121 CFF 500 2.454 -2.941 -0.966 1.00 0.00 H
HETATM 23 H122 CFF 500 2.351 -3.232 0.787 1.00 0.00 H
HETATM 24 H123 CFF 500 2.910 -1.656 0.178 1.00 0.00 H
TER 25 CFF 500
CONECT 1 2 7 13
CONECT 2 1 3 3 4
CONECT 3 2 2
CONECT 4 2 5 17
CONECT 5 4 6 6 11
CONECT 6 5 5 7 9
CONECT 7 1 6 8 8
CONECT 8 7 7
CONECT 9 6 10 21
CONECT 10 9 11 11 12
CONECT 11 5 10 10
CONECT 12 10
CONECT 13 1 14 15 16
CONECT 14 13
CONECT 15 13
CONECT 16 13
CONECT 17 4 18 19 20
CONECT 18 17
CONECT 19 17
CONECT 20 17
CONECT 21 9 22 23 24
CONECT 22 21
CONECT 23 21
CONECT 24 21
MASTER 0 0 1 0 0 0 0 0 24 1 24 0
ENDIt took 6 rounds, in pi. The prompt was simply: “Write a PDB file with 3D coordinates for a caffeine molecule, hydrogens included.”