Opened 2 years ago

Closed 2 years ago

#9661 closed defect (can't reproduce)

glClear: invalid framebuffer operation

Reported by: chimerax-bug-report@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Graphics Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description 

The following bug report has been submitted:
Platform:        macOS-13.4-arm64-arm-64bit
ChimeraX Version: 1.5 (2022-11-24 00:03:27 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
UCSF ChimeraX version: 1.5 (2022-11-24)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open "/Users/roberts/Downloads/prankweb-P9WH21/visualizations/data/NamH (no
> minimizada).cxs" format session

Log from Wed Jun 21 05:56:39 2023UCSF ChimeraX version: 1.5 (2022-11-24)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "/Users/roberts/Downloads/NamH Minimizacion (buena)_TopN_pockets.pdb"

> open "/Users/roberts/Downloads/NamH Minimizacion (buena)_simple.pdb"

Chain information for NamH Minimizacion (buena)_simple.pdb #2  
---  
Chain | Description  
A | No description available  
  

> hide #2 models

> show #2 models

> hide #1 models

Alignment identifier is 2/A  

> select
> #2/A:2-7,10-15,18-22,53-55,78-81,101-103,109-113,118-126,136-142,147-152,171-175,219-223,274-278,281-286,358-362,365-370,375-377,387-391,417-421,457-460,463-466,480-483,486-489,494-497

1942 atoms, 1941 bonds, 119 residues, 1 model selected  

> show #1 models

> select #2/A:9

10 atoms, 9 bonds, 1 residue, 1 model selected  

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for NamH Minimizacion (buena)_simple.pdb_A SES surface #2.1:
minimum, -13.56, mean -2.81, maximum 24.02  
To also show corresponding color key, enter the above coulombic command and
add key true  

> color sel bypolymer

> hide sel cartoons

[Repeated 1 time(s)]

> show sel cartoons

> select #2/A:1

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select #2/A

7983 atoms, 8099 bonds, 516 residues, 1 model selected  

> style sel ball

Changed 7983 atom styles  

> style sel ball

Changed 7983 atom styles  

> style sel ball

Changed 7983 atom styles  

> style sel stick

Changed 7983 atom styles  

> style sel sphere

Changed 7983 atom styles  

> set bgColor white

> set bgColor #ffffff00

> set bgColor black

> set bgColor transparent

> style sel sphere

Changed 7983 atom styles  

> style sel stick

Changed 7983 atom styles  

> show sel surfaces

> hide sel cartoons

> coulombic sel

Coulombic values for NamH Minimizacion (buena)_simple.pdb_A SES surface #2.1:
minimum, -13.56, mean -2.81, maximum 24.02  
To also show corresponding color key, enter the above coulombic command and
add key true  

> mlp sel

Map values for surface "NamH Minimizacion (buena)_simple.pdb_A SES surface":
minimum -29.43, mean -4.784, maximum 25.8  
To also show corresponding color key, enter the above mlp command and add key
true  

> coulombic sel

Coulombic values for NamH Minimizacion (buena)_simple.pdb_A SES surface #2.1:
minimum, -13.56, mean -2.81, maximum 24.02  
To also show corresponding color key, enter the above coulombic command and
add key true  

> transparency sel 50

> volume style image

No volumes specified  

> volume style mesh

No volumes specified  

> volume showOutlineBox true

No volumes specified  

> transparency sel 0

> transparency sel 50

> transparency sel 0

> volume showOutlineBox true

No volumes specified  

> transparency sel 50

> volume hide

No volumes specified  

> volume hide

No volumes specified  

> select #2/A:516

15 atoms, 15 bonds, 1 residue, 1 model selected  

> select #2/A

7983 atoms, 8099 bonds, 516 residues, 1 model selected  

Color zone shortcut requires 1 displayed atomic model and 1 map, got 2 atomic
models, 0 maps.  

> select subtract #2

1 model selected  

> select add #2

7983 atoms, 8099 bonds, 516 residues, 1 model selected  

> select subtract #2

1 model selected  

> select add #1

885 atoms, 885 residues, 1 model selected  

> show sel cartoons

> show sel atoms

> interfaces select & ~solvent

Missing or invalid "atoms" argument: invalid atoms specifier  

> color sel byhetero

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Assigning partial charges to residue 219 (net charge -1) with am1-bcc method  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 231 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 164 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 197 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 200 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 270 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 8 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 21 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 138 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 234 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 224 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 216 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 65 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 17 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 24 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 139 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 228 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 87 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 207 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 67 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 168 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 196 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 36 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 75 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 33 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 178 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 236 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 245 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 127 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 126 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 177 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 242 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 232 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 2 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 16 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 74 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 131 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 261 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 278 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 97 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 42 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 103 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 140 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 215 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 162 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 258 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 249 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 54 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 68 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 55 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 61 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 161 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 262 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 149 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 255 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 184 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 266 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 83 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 117 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 47 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 63 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 32 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 176 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 213 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 31 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 201 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 56 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 71 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 28 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 92 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 109 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 267 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 171 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 221 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 210 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 239 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 191 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 34 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 64 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 12 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 30 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 180 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 114 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 90 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 217 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 20 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 70 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 7 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 14 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 156 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 107 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 235 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 78 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 272 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 172 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 158 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 222 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 57 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 10 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 35 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 248 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 257 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 186 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 113 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 23 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 40 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 59 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 119 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 188 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 86 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 169 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 96 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 212 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 15 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 79 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 84 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 251 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 243 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 181 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 220 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 137 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 240 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 152 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 265 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 280 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 241 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 254 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 281 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 143 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 268 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 190 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 44 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 19 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 29 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 208 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 101 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 1 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 72 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 39 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 274 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 263 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 170 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 253 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 91 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 225 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 26 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 179 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 112 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 125 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 183 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 154 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 259 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 46 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 108 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 128 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 9 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 48 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 282 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 151 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 279 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 80 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 136 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 211 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 194 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 219 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 53 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 5 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 18 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 37 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 185 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 142 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 252 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 73 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 202 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 122 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 175 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 229 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 106 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 132 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 144 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 273 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 118 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 223 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 174 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 189 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 206 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 51 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 165 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 244 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 99 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 100 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 129 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 271 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 89 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 121 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 218 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 82 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 160 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 198 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 214 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 50 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 115 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 150 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 167 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 102 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 88 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 237 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 195 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 27 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 105 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 148 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 275 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 192 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 120 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 159 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 130 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 205 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 209 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 6 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 41 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 69 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 233 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 276 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 133 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 110 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 187 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 38 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 66 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 4 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 11 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 43 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 76 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 145 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 199 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 98 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 155 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 260 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 123 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 227 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 166 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 226 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 22 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 250 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 45 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 246 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 182 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 94 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 13 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 52 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 60 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 141 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 25 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 157 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 269 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 134 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 147 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 277 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 116 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 203 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 124 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 77 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 3 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 62 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 104 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 247 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 111 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 204 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 193 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 256 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 49 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 135 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 146 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 153 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 238 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 163 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 230 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 93 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 95 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 85 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 58 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 81 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 264 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/A 219 173 H  
Assigning partial charges to residue 368 (net charge -1) with am1-bcc method  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 405 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 439 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 375 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 455 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 340 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 515 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 322 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 459 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 301 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 291 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 358 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 506 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 427 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 416 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 366 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 497 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 342 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 355 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 394 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 428 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 480 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 486 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 435 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 379 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 438 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 389 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 477 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 307 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 495 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 385 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 446 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 433 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 483 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 285 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 303 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 351 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 353 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 411 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 470 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 489 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 454 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 317 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 367 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 485 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 376 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 318 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 492 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 364 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 312 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 511 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 451 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 424 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 378 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 309 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 505 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 445 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 388 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 314 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 504 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 468 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 390 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 518 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 377 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 295 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 313 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 328 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 409 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 426 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 466 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 516 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 475 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 465 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 443 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 336 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 517 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 356 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 450 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 420 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 463 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 519 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 361 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 327 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 440 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 292 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 481 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 493 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 444 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 381 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 514 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 368 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 449 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 311 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 321 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 347 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 392 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 360 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 298 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 365 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 371 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 414 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 467 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 341 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 386 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 447 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 423 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 400 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 284 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 290 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 299 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 320 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 510 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 482 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 476 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 431 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 461 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 415 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 508 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 300 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 287 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 306 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 369 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 373 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 488 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 396 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 308 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 302 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 350 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 397 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 507 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 329 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 406 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 359 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 478 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 500 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 422 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 380 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 338 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 316 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 344 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 410 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 458 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 384 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 362 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 484 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 288 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 315 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 332 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 391 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 357 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 494 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 425 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 382 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 471 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 363 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 337 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 408 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 319 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 343 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 387 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 296 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 491 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 297 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 310 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 395 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 432 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 498 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 512 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 436 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 453 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 402 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 520 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 370 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 349 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 448 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 441 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 501 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 333 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 429 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 407 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 499 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 464 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 294 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 335 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 417 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 346 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 413 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 472 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 326 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 430 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 401 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 289 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 304 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 479 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 323 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 412 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 352 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 403 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 456 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 334 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 437 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 496 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 487 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 325 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 502 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 421 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 457 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 399 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 452 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 404 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 503 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 490 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 513 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 474 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 339 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 442 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 509 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 418 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 462 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 398 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 293 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 354 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 283 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 286 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 348 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 460 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 330 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 324 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 469 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 305 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 419 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 345 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 393 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 473 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 374 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 331 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 434 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 383 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/B 368 372 H  
Assigning partial charges to residue 170 (net charge -1) with am1-bcc method  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 524 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 614 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 669 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 699 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 738 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 687 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 591 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 681 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 628 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 656 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 688 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 631 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 589 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 646 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 617 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 623 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 600 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 653 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 667 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 661 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 714 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 649 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 727 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 689 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 630 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 578 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 615 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 636 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 554 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 533 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 684 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 632 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 655 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 711 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 562 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 560 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 622 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 566 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 728 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 698 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 575 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 576 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 730 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 724 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 534 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 721 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 652 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 565 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 674 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 522 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 553 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 635 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 563 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 729 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 607 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 530 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 709 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 664 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 696 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 640 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 586 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 527 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 731 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 685 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 619 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 612 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 537 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 705 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 672 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 543 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 701 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 712 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 603 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 542 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 634 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 732 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 718 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 588 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 595 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 638 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 593 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 679 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 602 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 690 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 620 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 567 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 550 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 708 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 592 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 599 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 707 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 568 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 683 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 538 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 625 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 657 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 610 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 643 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 604 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 583 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 673 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 571 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 722 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 574 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 531 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 561 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 702 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 621 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 556 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 606 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 658 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 582 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 720 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 529 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 629 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 736 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 654 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 546 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 613 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 710 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 735 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 597 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 682 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 541 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 564 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 650 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 611 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 523 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 558 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 525 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 716 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 590 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 706 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 584 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 734 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 670 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 528 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 605 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 678 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 536 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 573 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 641 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 733 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 717 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 559 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 637 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 545 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 598 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 704 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 570 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 651 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 626 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 659 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 647 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 555 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 627 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 660 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 548 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 676 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 639 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 693 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 587 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 713 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 723 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 700 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 521 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 539 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 633 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 725 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 609 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 675 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 663 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 577 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 644 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 616 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 665 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 715 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 601 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 662 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 703 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 680 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 526 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 572 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 719 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 686 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 642 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 694 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 547 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 569 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 645 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 532 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 544 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 618 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 580 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 648 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 692 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 549 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 695 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 585 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 737 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 668 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 552 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 624 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 608 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 691 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 551 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 666 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 697 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 557 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 594 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 671 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 596 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 579 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 677 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 540 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 581 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 726 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/C 170 535 H  
Assigning partial charges to residue 230 (net charge -1) with am1-bcc method  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 850 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 874 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 882 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 854 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 842 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 861 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 865 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 856 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 843 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 847 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 852 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 873 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 883 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 867 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 853 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 863 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 878 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 841 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 877 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 881 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 872 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 880 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 858 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 879 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 884 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 848 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 885 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 851 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 866 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 860 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 844 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 855 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 875 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 868 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 869 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 845 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 839 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 864 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 870 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 840 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 859 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 876 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 862 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 838 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 849 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 846 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 871 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/E 230 857 H  
Assigning partial charges to residue 192 (net charge -1) with am1-bcc method  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 789 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 779 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 825 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 750 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 740 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 783 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 746 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 810 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 793 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 768 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 830 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 747 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 795 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 784 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 776 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 814 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 801 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 786 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 803 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 818 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 821 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 832 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 785 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 829 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 748 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 817 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 820 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 781 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 835 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 745 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 797 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 771 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 772 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 819 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 780 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 806 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 767 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 800 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 769 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 757 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 774 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 822 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 751 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 807 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 796 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 762 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 756 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 815 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 764 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 787 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 824 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 798 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 836 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 828 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 766 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 811 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 778 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 761 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 794 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 765 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 773 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 809 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 770 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 834 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 760 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 754 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 833 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 741 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 782 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 744 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 813 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 827 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 752 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 799 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 777 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 753 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 763 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 758 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 775 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 792 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 816 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 805 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 749 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 790 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 802 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 759 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 739 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 837 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 755 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 791 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 826 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 808 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 788 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 742 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 743 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 812 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 831 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 804 H  
Could not determine GAFF type for atom NamH Minimizacion
(buena)_TopN_pockets.pdb #1/D 192 823 H  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_A SES surface
#1.1: minimum, -836.80, mean -568.91, maximum -268.51  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_B SES surface
#1.2: minimum, -1189.25, mean -578.60, maximum -192.92  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_C SES surface
#1.3: minimum, -878.22, mean -570.31, maximum -169.85  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_D SES surface
#1.4: minimum, -493.96, mean -392.96, maximum -201.50  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_E SES surface
#1.5: minimum, -305.07, mean -242.64, maximum -102.86  
To also show corresponding color key, enter the above coulombic command and
add key true  

> coulombic sel

Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_A SES surface
#1.1: minimum, -836.80, mean -568.91, maximum -268.51  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_B SES surface
#1.2: minimum, -1189.25, mean -578.60, maximum -192.92  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_C SES surface
#1.3: minimum, -878.22, mean -570.31, maximum -169.85  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_D SES surface
#1.4: minimum, -493.96, mean -392.96, maximum -201.50  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_E SES surface
#1.5: minimum, -305.07, mean -242.64, maximum -102.86  
To also show corresponding color key, enter the above coulombic command and
add key true  

> color bfactor sel

885 atoms, 885 residues, 5 surfaces, atom bfactor range 0 to 0  

> color sel byhetero

> color sel bychain

> hide sel surfaces

> select subtract #1

5 models selected  

> select #2/A:7

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:7-8

24 atoms, 24 bonds, 2 residues, 1 model selected  

> select #2/A:8

17 atoms, 17 bonds, 1 residue, 1 model selected  

> select #2/A:7-8

24 atoms, 24 bonds, 2 residues, 1 model selected  

> select #2/A:61

22 atoms, 21 bonds, 1 residue, 1 model selected  

> select #2/A:61-63

51 atoms, 51 bonds, 3 residues, 1 model selected  

> select #2/A:65

12 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:65

12 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:62-63

29 atoms, 29 bonds, 2 residues, 1 model selected  

> select #2/A:63-92

476 atoms, 482 bonds, 30 residues, 1 model selected  

> select #2/A:154

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select #2/A:154-250

1492 atoms, 1515 bonds, 97 residues, 1 model selected  

> select #2/A:309

21 atoms, 21 bonds, 1 residue, 1 model selected  

> select #2/A:309-315

108 atoms, 109 bonds, 7 residues, 1 model selected  

> select #2/A:66

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select #2/A:66

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select add #1

895 atoms, 9 bonds, 886 residues, 3 models selected  

> select add #2

8868 atoms, 8099 bonds, 1401 residues, 8 models selected  

> select subtract #2

885 atoms, 885 residues, 7 models selected  

> open "/Users/roberts/Library/Mobile Documents/com~apple~CloudDocs/Predicción
> de sitio de unión/P2Rank/NamH (no minimizada).cif.pml"

Unrecognized file suffix '.pml'  

> select subtract #1

5 models selected  

> set bgColor gray

> set bgColor #80808000

> lighting simple

> lighting soft

> graphics silhouettes true

> lighting soft

> lighting simple

> lighting flat

[Repeated 1 time(s)]

> lighting full

> lighting shadows false

> lighting simple

> lighting flat

> lighting full

> view

> ui tool show "Side View"

[Repeated 1 time(s)]

> open "/Users/roberts/Downloads/NamH-no minimizada.pdb"

Chain information for NamH-no minimizada.pdb #3  
---  
Chain | Description  
A | No description available  
  

> close #3

> open
> /Users/roberts/Downloads/prankweb-P9WH21/visualizations/data/structure.cif

Chain information for structure.cif #3  
---  
Chain | Description | UniProt  
A | Putative Rieske 2Fe-2S iron-sulfur protein Rv3818 | Y3818_MYCTU  
  

> show surfaces

> hide #!3 models

> hide #!1-2 surfaces

[Repeated 1 time(s)]

> show #!1-2 surfaces

> hide #!1 models

> hide #!2 surfaces

> show #!2 surfaces

> hide #!2 surfaces

> show #!2 surfaces

> show #!1 models

> hide #!2 models

> hide #!1 surfaces

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!3 models

> color #!1,3 byhetero

> color #!1,3 bychain

> color #!1,3 bypolymer

> rainbow #!1,3

> coulombic #!1,3

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_A SES surface
#1.1: minimum, -836.80, mean -568.91, maximum -268.51  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_B SES surface
#1.2: minimum, -1189.25, mean -578.60, maximum -192.92  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_C SES surface
#1.3: minimum, -878.22, mean -570.31, maximum -169.85  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_D SES surface
#1.4: minimum, -493.96, mean -392.96, maximum -201.50  
Coulombic values for NamH Minimizacion (buena)_TopN_pockets.pdb_E SES surface
#1.5: minimum, -305.07, mean -242.64, maximum -102.86  
Coulombic values for structure.cif_A SES surface #3.1: minimum, -29.22, mean
-4.17, maximum 15.60  
To also show corresponding color key, enter the above coulombic command and
add key true  

> mlp #!1,3

Map values for surface "structure.cif_A SES surface": minimum -30.49, mean
-5.829, maximum 23.31  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide #!3 models

> show #!2 models

> hide #!2 models

> hide #!1 surfaces

> show #!2 models

> hide #1.5 models

> hide #1.4 models

> hide #1.3 models

> hide #1.2 models

> hide #1.1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #1.1 models

> hide #!1 models

> show #!2 surfaces

> hide #!2 surfaces

[Repeated 1 time(s)]

> show #!2 surfaces

> hide #!2 models

> show #!2 models

> show #1.2 models

> show #1.3 models

> show #1.4 models

> show #1.5 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> lighting soft

[Repeated 1 time(s)]

> lighting simple

[Repeated 1 time(s)]

> lighting soft

> lighting shadows true intensity 0.5

> hide #!2 models

> show #!1 models

> lighting simple

> lighting soft

> lighting simple

> lighting shadows true

> show #!2 models

> hide #!1 models

> ui tool show "Surface Color"

> color single #2.1

> color radial #2.1 palette #ff0000:#ffffff:#0000ff

> coulombic #!2

Coulombic values for NamH Minimizacion (buena)_simple.pdb_A SES surface #2.1:
minimum, -13.56, mean -2.81, maximum 24.02  
To also show corresponding color key, enter the above coulombic command and
add key true  

> lighting simple

> lighting soft

> lighting flat

> lighting full

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows false

> graphics silhouettes false

> lighting simple

> lighting soft

> lighting full

> lighting flat

[Repeated 1 time(s)]

> lighting simple

> show #!1 models

> undo

[Repeated 3 time(s)]

> show #!1 models

> show #!3 models

> hide #!3 models

> close #3

> hide #1.2 models

> hide #1.3 models

> hide #1.4 models

> hide #1.5 models

> show #1.5 models

> show #1.4 models

> show #1.3 models

> show #1.2 models

> save "/Users/roberts/Downloads/prankweb-P9WH21/visualizations/data/NamH (no
> minimizada).cxs"

——— End of log from Wed Jun 21 05:56:39 2023 ———

opened ChimeraX session  

> graphics silhouettes false

> save "/Users/roberts/Downloads/NamH (superficie).pdb"

> open
> /Users/roberts/Downloads/_e76b0/_e76b0_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_001.pdb

Chain information for
_e76b0_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_001.pdb #3  
---  
Chain | Description  
A B | No description available  
  

> close #3

Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/statusbar.py", line 84, in _expose_event  
self.status(self._last_message, self._last_color)  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/statusbar.py", line 150, in status  
r.draw_background()  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/graphics/opengl.py", line 1178, in draw_background  
GL.glClear(flags)  
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError  
OpenGL.error.GLError: GLError(  
err = 1286,  
description = b'invalid framebuffer operation',  
baseOperation = glClear,  
cArguments = (16640,)  
)  
  
OpenGL.error.GLError: GLError(  
err = 1286,  
description = b'invalid framebuffer operation',  
baseOperation = glClear,  
cArguments = (16640,)  
)  
  
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/statusbar.py", line 84, in _expose_event  
self.status(self._last_message, self._last_color)  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/statusbar.py", line 150, in status  
r.draw_background()  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/graphics/opengl.py", line 1178, in draw_background  
GL.glClear(flags)  
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError  
OpenGL.error.GLError: GLError(  
err = 1286,  
description = b'invalid framebuffer operation',  
baseOperation = glClear,  
cArguments = (16640,)  
)  
  
OpenGL.error.GLError: GLError(  
err = 1286,  
description = b'invalid framebuffer operation',  
baseOperation = glClear,  
cArguments = (16640,)  
)  
  
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/statusbar.py", line 84, in _expose_event  
self.status(self._last_message, self._last_color)  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/statusbar.py", line 150, in status  
r.draw_background()  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/graphics/opengl.py", line 1178, in draw_background  
GL.glClear(flags)  
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError  
OpenGL.error.GLError: GLError(  
err = 1286,  
description = b'invalid framebuffer operation',  
baseOperation = glClear,  
cArguments = (16640,)  
)  
  
OpenGL.error.GLError: GLError(  
err = 1286,  
description = b'invalid framebuffer operation',  
baseOperation = glClear,  
cArguments = (16640,)  
)  
  
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/statusbar.py", line 84, in _expose_event  
self.status(self._last_message, self._last_color)  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/ui/statusbar.py", line 150, in status  
r.draw_background()  
File
"/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/graphics/opengl.py", line 1178, in draw_background  
GL.glClear(flags)  
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError  
OpenGL.error.GLError: GLError(  
err = 1286,  
description = b'invalid framebuffer operation',  
baseOperation = glClear,  
cArguments = (16640,)  
)  
  
OpenGL.error.GLError: GLError(  
err = 1286,  
description = b'invalid framebuffer operation',  
baseOperation = glClear,  
cArguments = (16640,)  
)  
  
File "src/errorchecker.pyx", line 58, in
OpenGL_accelerate.errorchecker._ErrorChecker.glCheckError  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 Metal - 83.1
OpenGL renderer: Apple M2
OpenGL vendor: Apple

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: Mac14,2
      Model Number: MLY33E/A
      Chip: Apple M2
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 8 GB
      System Firmware Version: 8422.121.1
      OS Loader Version: 8422.121.1

Software:

    System Software Overview:

      System Version: macOS 13.4 (22F66)
      Kernel Version: Darwin 22.5.0
      Time since boot: 69 días y 40 minutos

Graphics/Displays:

    Apple M2:

      Chipset Model: Apple M2
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 8
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina Display
          Resolution: 2560 x 1664 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal
        Sidecar Display:
          Resolution: 2360 x 1640
          UI Looks like: 1180 x 820 @ 60.00Hz
          Framebuffer Depth: 24-Bit Color (ARGB8888)
          Mirror: Off
          Connection Type: AirPlay
          Virtual Device: Yes


Installed Packages:
    alabaster: 0.7.12
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.1.0
    Babel: 2.11.0
    backcall: 0.2.0
    blockdiag: 3.0.0
    build: 0.8.0
    certifi: 2021.10.8
    cftime: 1.6.2
    charset-normalizer: 2.1.1
    ChimeraX-AddCharge: 1.4
    ChimeraX-AddH: 2.2.1
    ChimeraX-AlignmentAlgorithms: 2.0
    ChimeraX-AlignmentHdrs: 3.2.1
    ChimeraX-AlignmentMatrices: 2.0
    ChimeraX-Alignments: 2.6
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.0
    ChimeraX-Atomic: 1.41.5
    ChimeraX-AtomicLibrary: 8.0.3
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.7.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.1
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3
    ChimeraX-ChemGroup: 2.0
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.2
    ChimeraX-CommandLine: 1.2.4
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.5
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.3.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.2
    ChimeraX-Dicom: 1.1
    ChimeraX-DistMonitor: 1.3
    ChimeraX-DockPrep: 1.0
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ExperimentalCommands: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.2
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-Label: 1.1.7
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.2
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.1
    ChimeraX-MatchMaker: 2.0.9
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1
    ChimeraX-mmCIF: 2.8
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.6
    ChimeraX-ModelPanel: 1.3.6
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.1
    ChimeraX-MouseModes: 1.1.1
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.9.1
    ChimeraX-PDB: 2.6.8
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 2.0.1
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.7.2
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.10
    ChimeraX-STL: 1.0
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.1.3
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.24.3
    ChimeraX-uniprot: 2.2.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.1.4
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.1
    ChimeraX-WebServices: 1.1.0
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.5
    cxservices: 1.2
    cycler: 0.11.0
    Cython: 0.29.32
    debugpy: 1.6.4
    decorator: 5.1.1
    docutils: 0.19
    entrypoints: 0.4
    executing: 1.2.0
    filelock: 3.7.1
    fonttools: 4.38.0
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.7.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.33
    imagecodecs: 2022.7.31
    imagesize: 1.4.1
    importlib-metadata: 5.1.0
    ipykernel: 6.15.3
    ipython: 8.4.0
    ipython-genutils: 0.2.0
    jedi: 0.18.1
    Jinja2: 3.1.2
    jupyter-client: 7.3.4
    jupyter-core: 5.1.0
    kiwisolver: 1.4.4
    line-profiler: 3.5.1
    lxml: 4.9.1
    lz4: 4.0.2
    MarkupSafe: 2.1.1
    matplotlib: 3.5.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.0
    networkx: 2.8.5
    numexpr: 2.8.4
    numpy: 1.23.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 9.2.0
    pip: 22.2.2
    pkginfo: 1.8.3
    platformdirs: 2.5.4
    prompt-toolkit: 3.0.33
    psutil: 5.9.1
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.12.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2022.6
    pyzmq: 24.0.1
    qtconsole: 5.3.1
    QtPy: 2.3.0
    RandomWords: 0.4.0
    requests: 2.28.1
    scipy: 1.9.0
    setuptools: 65.1.1
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.2
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    Sphinx: 5.1.1
    sphinx-autodoc-typehints: 1.19.1
    sphinxcontrib-applehelp: 1.0.2
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tifffile: 2022.7.31
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.2
    traitlets: 5.3.0
    typing-extensions: 4.4.0
    urllib3: 1.26.13
    wcwidth: 0.2.5
    webcolors: 1.12
    wheel: 0.37.1
    wheel-filename: 1.4.1
    zipp: 3.11.0

Change History (2)

comment:1 by pett, 2 years ago

Component: Unassigned → Graphics
Owner: set to Tom Goddard
Platform: → all
Project: → ChimeraX
Status: new → assigned
Summary: ChimeraX bug report submission → glClear: invalid framebuffer operation

comment:2 by Tom Goddard, 2 years ago

Resolution: → can't reproduce
Status: assigned → closed

glClear() invalid framebuffer operation in status line on expose event.

The context was made current just before the error and no error making it current was detected. A model had just been opened and then closed. There were two displays, not mirrored. Maybe it is somehow related to the two displays.

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