Name	Name	Last commit message	Last commit date
Latest commit History 21 Commits
Sorry, we had to truncate this directory to 1,000 files. 596 entries were omitted from the list.
23H Aq No Water Truncated 12A	23H Aq No Water Truncated 12A
5L6Q	5L6Q
5LYC	5LYC
5N7V	5N7V
5UG2	5UG2
5UGD	5UGD
5UIZ	5UIZ
5VPS	5VPS
Diamond	Diamond
EMETAS	EMETAS
Examples_of_Protein_transition_states	Examples_of_Protein_transition_states
Graphite	Graphite
Individual JSmol paths	Individual JSmol paths
JSmol_examples	JSmol_examples
J_Mol_Mod_(2016)_files_Enzyme_specificity	J_Mol_Mod_(2016)_files_Enzyme_specificity
J_Mol_Mod_(2017)_files_Chymotrypsin_catalytic_mechanism	J_Mol_Mod_(2017)_files_Chymotrypsin_catalytic_mechanism
J_Mol_Mod_(2025)_files_Prediction_of_enzyme_inhibition	J_Mol_Mod_(2025)_files_Prediction_of_enzyme_inhibition
J_Mol_Mod_(2026)_files_MNDO_and_tools	J_Mol_Mod_(2026)_files_MNDO_and_tools
Lab_notebook_for_Chymotrypsin_Mechanism	Lab_notebook_for_Chymotrypsin_Mechanism
Lab_notebook_for_Enzyme_Binding_and_Specificity	Lab_notebook_for_Enzyme_Binding_and_Specificity
Open_Biology_(2023)_files_Bond_formation_in_a_C-Nucleoside_Synthase	Open_Biology_(2023)_files_Bond_formation_in_a_C-Nucleoside_Synthase
Operations_on_Proteins	Operations_on_Proteins
Polyethylene	Polyethylene
QMMM_files	QMMM_files
.gitignore	.gitignore
0WD.html	0WD.html
0WD.pdb	0WD.pdb
0WD.txt	0WD.txt
18-Annulene.html	18-Annulene.html
18-annulene.gif	18-annulene.gif
1E66_catalytic_triad.html	1E66_catalytic_triad.html
1NH4_C-O.html	1NH4_C-O.html
1QRP.pdb	1QRP.pdb
1WDA_C-C.html	1WDA_C-C.html
1WDZ_C-C.html	1WDZ_C-C.html
1c1e.html	1c1e.html
1c2e.html	1c2e.html
22-Annulene.html	22-Annulene.html
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26-Annulene.html	26-Annulene.html
26-annulene.gif	26-annulene.gif
2c1e.html	2c1e.html
30-Annulene.html	30-Annulene.html
30-annulene.gif	30-annulene.gif
3CSM_salt_bridge.html	3CSM_salt_bridge.html
3W11_short_inter-chain_distance.html	3W11_short_inter-chain_distance.html
3ZR0_1_opt_H.html	3ZR0_1_opt_H.html
3ZR0_1_opt_H.pdb	3ZR0_1_opt_H.pdb
3zr0_1_opt_H.arc	3zr0_1_opt_H.arc
4AC4_H_bond.html	4AC4_H_bond.html
4AKF_internal_H-bond.html	4AKF_internal_H-bond.html
4_4_Bipyridinium.gif	4_4_Bipyridinium.gif
5L6Q.zip	5L6Q.zip
5LYC.zip	5LYC.zip
5N7V.zip	5N7V.zip
5UG2.zip	5UG2.zip
5UGD.zip	5UGD.zip
5UIZ.zip	5UIZ.zip
5ULI Add-H.html	5ULI Add-H.html
5ULI Add-H.pdb	5ULI Add-H.pdb
5ULI Add-H.txt	5ULI Add-H.txt
5ULI.html	5ULI.html
5ULI.pdb	5ULI.pdb
5VPS 9g1.pdb	5VPS 9g1.pdb
5VPS Add-H.html	5VPS Add-H.html
5VPS Add-H.pdb	5VPS Add-H.pdb
5VPS Add-H.txt	5VPS Add-H.txt
5VPS.zip	5VPS.zip
8GCH.pdb	8GCH.pdb
8GCH_Chymotrypsin_active_site.html	8GCH_Chymotrypsin_active_site.html
8GCH_Chymotrypsin_active_site.xyz	8GCH_Chymotrypsin_active_site.xyz
8GCH_Chymotrypsin_files.zip	8GCH_Chymotrypsin_files.zip
8GCH_PDB_and_PM7.jpg	8GCH_PDB_and_PM7.jpg
9g1.html	9g1.html
9g1.pdb	9g1.pdb
9g1.txt	9g1.txt
ADD-H Proteins.html	ADD-H Proteins.html
ADD-H_problems.html	ADD-H_problems.html
AM1_accuracy.html	AM1_accuracy.html
Adding_Hydrogen_atoms.html	Adding_Hydrogen_atoms.html
Algorithmic_Validation.html	Algorithmic_Validation.html
Almost narcissistic reactions.html	Almost narcissistic reactions.html
Applying_geometry_constraints.html	Applying_geometry_constraints.html
Aspartate protease.zip	Aspartate protease.zip
Aspartate_Protease_1QRP.html	Aspartate_Protease_1QRP.html
Atomic_states.html	Atomic_states.html
Azulene_and_Naphthalene.gif	Azulene_and_Naphthalene.gif
BFGS_optimizer.html	BFGS_optimizer.html
BZ Diamond.zip	BZ Diamond.zip
BZ Graphite.zip	BZ Graphite.zip
BZ Polyethylene.zip	BZ Polyethylene.zip
Barriers.zip	Barriers.zip
Bond_alternation.html	Bond_alternation.html
Bond_orders.html	Bond_orders.html
C.A.S.html	C.A.S.html
C.I.D.html	C.I.D.html
C10H8.html	C10H8.html
C2H2+CO.zip	C2H2+CO.zip
C2H4+HCl.zip	C2H4+HCl.zip
CG_1.gif	CG_1.gif

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23H Aq No Water Truncated 12A