The following bug report has been submitted:
Platform: Windows-10-10.0.19041
ChimeraX Version: 1.2.5 (2021-05-24 04:13:57 UTC)
Description
coulombicUsing Amber 20 recommended default charges and atom types for standard residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i C:\Users\myHP\AppData\Local\Temp\tmphr9qv0v0\ante.in.mol2 -fi mol2 -o C:\Users\myHP\AppData\Local\Temp\tmphr9qv0v0\ante.out.mol2 -fo mol2 -c bcc -nc 0 -j 5 -s 2 -dr n
(HIC)
(HIC) Welcome to antechamber 20.0: molecular input file processor.
(HIC)
(HIC) Info: Finished reading file (C:\Users\myHP\AppData\Local\Temp\tmphr9qv0v0\ante.in.mol2); atoms read (32), bonds read (32).
(HIC) Info: Determining atomic numbers from atomic symbols which are case sensitive.
(HIC) Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
(HIC) /usr/bin/antechamber: Fatal Error!
(HIC) Cannot properly run "C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac".
(HIC) No such file or directory
Failure running ANTECHAMBER for residue HIC Check reply log for details
Log:
UCSF ChimeraX version: 1.2.5 (2021-05-24)
© 2016-2021 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "D:\user\Box Sync\manuscripts\Dorit lab yeat WT and 167 mutant
> cryoEM\actin structure files Niels Volkmann shared on 21-01-19\wt_model.pdb"
> format pdb
Summary of feedback from opening D:\user\Box Sync\manuscripts\Dorit lab yeat
WT and 167 mutant cryoEM\actin structure files Niels Volkmann shared on
21-01-19\wt_model.pdb
---
warnings | Ignored bad PDB record found on line 25
GEOMETRY RESTRAINTS LIBRARY: CDL v1.2
Ignored bad PDB record found on line 26
DEVIATIONS FROM IDEAL VALUES.
Ignored bad PDB record found on line 27
BOND : 0.006 0.054 14780
Ignored bad PDB record found on line 28
ANGLE : 0.947 15.272 20050
Ignored bad PDB record found on line 29
CHIRALITY : 0.057 0.244 2230
16 messages similar to the above omitted
Chain information for wt_model.pdb #1
---
Chain | Description
A B C D E | No description available
> coulombic
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
/A GLN 41
/A MET 47
/A GLN 49
/A LYS 50
/A ASP 51
/A PHE 375
/B GLN 41
/B MET 47
/B GLN 49
/B LYS 50
/B ASP 51
/B PHE 375
/C GLN 41
/C MET 47
/C GLN 49
/C LYS 50
/C ASP 51
/C PHE 375
/D GLN 41
/D MET 47
/D GLN 49
/D LYS 50
/D ASP 51
/D PHE 375
/E GLN 41
/E MET 47
/E GLN 49
/E LYS 50
/E ASP 51
/E PHE 375
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for wt_model.pdb_A SES surface #1.1: minimum, -17.47, mean
-2.40, maximum 12.76
Coulombic values for wt_model.pdb_B SES surface #1.2: minimum, -17.27, mean
-2.41, maximum 12.49
Coulombic values for wt_model.pdb_C SES surface #1.3: minimum, -17.02, mean
-2.42, maximum 12.37
Coulombic values for wt_model.pdb_D SES surface #1.4: minimum, -17.84, mean
-2.43, maximum 12.57
Coulombic values for wt_model.pdb_E SES surface #1.5: minimum, -17.67, mean
-2.42, maximum 13.30
To also show corresponding color key, enter the above coulombic command and
add key true
> close
> open 3mfp format mmcif fromDatabase pdb
3mfp title:
Atomic model of F-actin based on a 6.6 angstrom resolution cryoEM map [more
info...]
Chain information for 3mfp #1
---
Chain | Description
A | Actin, α skeletal muscle
Non-standard residues in 3mfp #1
---
ADP — adenosine-5'-diphosphate
3mfp mmCIF Assemblies
---
1| representative helical assembly
2| helical asymmetric unit
3| helical asymmetric unit, std helical frame
> coulombic
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\myHP\AppData\Local\Temp\tmp4l_jhnpw\ante.in.mol2 -fi mol2 -o
C:\Users\myHP\AppData\Local\Temp\tmp4l_jhnpw\ante.out.mol2 -fo mol2 -c bcc -nc
0 -j 5 -s 2 -dr n
(HIC) ``
(HIC) `Welcome to antechamber 20.0: molecular input file processor.`
(HIC) ``
(HIC) `Info: Finished reading file
(C:\Users\myHP\AppData\Local\Temp\tmp4l_jhnpw\ante.in.mol2); atoms read (32),
bonds read (32).`
(HIC) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(HIC) `Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j
part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(HIC) `/usr/bin/antechamber: Fatal Error!`
(HIC) `Cannot properly run "C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac".`
(HIC) `No such file or directory`
Failure running ANTECHAMBER for residue HIC Check reply log for details
> select hic
Expected an objects specifier or a keyword
> help help:user
> help help:user
> close
> open 3d6y
Summary of feedback from opening 3d6y fetched from pdb
---
notes | Fetching compressed mmCIF 3d6y from
http://files.rcsb.org/download/3d6y.cif
Fetching CCD BER from http://ligand-expo.rcsb.org/reports/B/BER/BER.cif
Fetching CCD GOL from http://ligand-expo.rcsb.org/reports/G/GOL/GOL.cif
3d6y title:
Crystal structure of R275E mutant of BMRR bound to DNA and berberine [more
info...]
Chain information for 3d6y #1
---
Chain | Description
A | Multidrug-efflux transporter 1 regulator
B | BMR promoter DNA
Non-standard residues in 3d6y #1
---
BER — berberine
GOL — glycerol (glycerin; propane-1,2,3-triol)
3d6y mmCIF Assemblies
---
1| author_and_software_defined_assembly
> select :BER
25 atoms, 29 bonds, 1 residue, 1 model selected
> select :GOL
12 atoms, 10 bonds, 2 residues, 1 model selected
> select :GOL
12 atoms, 10 bonds, 2 residues, 1 model selected
> select clear
> select :GOL
12 atoms, 10 bonds, 2 residues, 1 model selected
> select :BER
25 atoms, 29 bonds, 1 residue, 1 model selected
> select :GOL
12 atoms, 10 bonds, 2 residues, 1 model selected
> close
> open 3d6y fromDatabase rcsb_bio maxAssemblies 1
Summary of feedback from opening 3d6y fetched from rcsb_bio
---
note | Fetching compressed 3d6y bioassembly 1 from
https://files.rcsb.org/download/3d6y.pdb1.gz
subunit 1 title:
Crystal structure of R275E mutant of BMRR bound to DNA and berberine [more
info...]
Chain information for subunit 1 #1.1
---
Chain | Description
A | No description available
B | No description available
Non-standard residues in subunit 1 #1.1
---
BER — berberine
GOL — glycerol (glycerin; propane-1,2,3-triol)
Chain information for subunit 2 #1.2
---
Chain | Description
A | No description available
B | No description available
Opened 1 biological assemblies for 3d6y
> hide #1.2 models
> show #1.2 models
> hide #1.1 models
> show #1.1 models
> hide #1.2 models
> show #1.2 models
> select :GOL
24 atoms, 20 bonds, 4 residues, 2 models selected
> select :GOL
24 atoms, 20 bonds, 4 residues, 2 models selected
> select :GOL
24 atoms, 20 bonds, 4 residues, 2 models selected
> select :BER
50 atoms, 58 bonds, 2 residues, 2 models selected
> select :GOL
24 atoms, 20 bonds, 4 residues, 2 models selected
> select :BER
50 atoms, 58 bonds, 2 residues, 2 models selected
> hide :gol
> hide solvent
> hide protein
> ~hide protein
Unknown command: ~hide protein
> show protein
> preset "initial styles" "original look"
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> hide protein
> preset "initial styles" "original look"
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> select clear
> hide protein
> preset "initial styles" "original look"
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> hide protein
> select clear
> coulombic
Using Amber 20 recommended default charges and atom types for standard
residues
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for subunit 1_A SES surface #1.1.1: minimum, -16.84, mean
-2.11, maximum 14.59
Coulombic values for subunit 1_B SES surface #1.1.2: minimum, -18.71, mean
-10.15, maximum -1.37
Coulombic values for subunit 2_A SES surface #1.2.1: minimum, -16.09, mean
-1.98, maximum 15.15
Coulombic values for subunit 2_B SES surface #1.2.2: minimum, -18.78, mean
-10.16, maximum -1.36
To also show corresponding color key, enter the above coulombic command and
add key true
> preset "initial styles" "original look"
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> hide :gol
> hide solvent
> hide protein
> coulombic protein range -10,10
Coulombic values for subunit 1_A SES surface #1.1.1: minimum, -16.84, mean
-2.11, maximum 14.59
Coulombic values for subunit 2_A SES surface #1.2.1: minimum, -16.09, mean
-1.98, maximum 15.15
> close
> open 3mfp format mmcif fromDatabase pdb
3mfp title:
Atomic model of F-actin based on a 6.6 angstrom resolution cryoEM map [more
info...]
Chain information for 3mfp #1
---
Chain | Description
A | Actin, α skeletal muscle
Non-standard residues in 3mfp #1
---
ADP — adenosine-5'-diphosphate
3mfp mmCIF Assemblies
---
1| representative helical assembly
2| helical asymmetric unit
3| helical asymmetric unit, std helical frame
> hide :ADP
> hide solvent
> hide protein
> select clear
> coulombic protein range -10,10
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\myHP\AppData\Local\Temp\tmptnc6ju7l\ante.in.mol2 -fi mol2 -o
C:\Users\myHP\AppData\Local\Temp\tmptnc6ju7l\ante.out.mol2 -fo mol2 -c bcc -nc
0 -j 5 -s 2 -dr n
(HIC) ``
(HIC) `Welcome to antechamber 20.0: molecular input file processor.`
(HIC) ``
(HIC) `Info: Finished reading file
(C:\Users\myHP\AppData\Local\Temp\tmptnc6ju7l\ante.in.mol2); atoms read (32),
bonds read (32).`
(HIC) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(HIC) `Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j
part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(HIC) `/usr/bin/antechamber: Fatal Error!`
(HIC) `Cannot properly run "C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac".`
(HIC) `No such file or directory`
Failure running ANTECHAMBER for residue HIC Check reply log for details
> select :hic
11 atoms, 11 bonds, 1 residue, 1 model selected
Alignment identifier is 1/A
> select :his
80 atoms, 81 bonds, 8 residues, 1 model selected
> select clear
> select clear
> select :his
80 atoms, 81 bonds, 8 residues, 1 model selected
> ui tool show "Build Structure"
> ui tool show Updates
> toolshed show
> help help:devel
> help help:index.html
> rename #1 mutant4
> build modify :hic name his
Missing or invalid "atom" argument: Must specify exactly one atom (specified
11)
> select clear
> select :hic
11 atoms, 11 bonds, 1 residue, 1 model selected
> swapaa sel :his
Using Dunbrack library
/A HIC 73: phi -109.1, psi 24.1 trans
Dunbrack rotamer library does not support :HIS
> ui tool show "Command Line Interface"
> ui tool show Log
> select :h
Nothing selected
> select :his
80 atoms, 81 bonds, 8 residues, 1 model selected
> select :hic
11 atoms, 11 bonds, 1 residue, 1 model selected
> style sel ball
Changed 11 atom styles
> show sel
> color sel byhetero
> select clear
> coulombic
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\myHP\AppData\Local\Temp\tmpbo0puy45\ante.in.mol2 -fi mol2 -o
C:\Users\myHP\AppData\Local\Temp\tmpbo0puy45\ante.out.mol2 -fo mol2 -c bcc -nc
0 -j 5 -s 2 -dr n
(HIC) ``
(HIC) `Welcome to antechamber 20.0: molecular input file processor.`
(HIC) ``
(HIC) `Info: Finished reading file
(C:\Users\myHP\AppData\Local\Temp\tmpbo0puy45\ante.in.mol2); atoms read (32),
bonds read (32).`
(HIC) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(HIC) `Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j
part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(HIC) `/usr/bin/antechamber: Fatal Error!`
(HIC) `Cannot properly run "C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac".`
(HIC) `No such file or directory`
Failure running ANTECHAMBER for residue HIC Check reply log for details
> select hic
Expected an objects specifier or a keyword
> select :hic
11 atoms, 11 bonds, 1 residue, 1 model selected
> coulombic :hic range -10,10
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\myHP\AppData\Local\Temp\tmpxvxquhmd\ante.in.mol2 -fi mol2 -o
C:\Users\myHP\AppData\Local\Temp\tmpxvxquhmd\ante.out.mol2 -fo mol2 -c bcc -nc
0 -j 5 -s 2 -dr n
(HIC) ``
(HIC) `Welcome to antechamber 20.0: molecular input file processor.`
(HIC) ``
(HIC) `Info: Finished reading file
(C:\Users\myHP\AppData\Local\Temp\tmpxvxquhmd\ante.in.mol2); atoms read (32),
bonds read (32).`
(HIC) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(HIC) `Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j
part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(HIC) `/usr/bin/antechamber: Fatal Error!`
(HIC) `Cannot properly run "C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac".`
(HIC) `No such file or directory`
Failure running ANTECHAMBER for residue HIC Check reply log for details
> hide sel
> select clear
> coulombic protein range -10,10
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\myHP\AppData\Local\Temp\tmp8t49fojj\ante.in.mol2 -fi mol2 -o
C:\Users\myHP\AppData\Local\Temp\tmp8t49fojj\ante.out.mol2 -fo mol2 -c bcc -nc
0 -j 5 -s 2 -dr n
(HIC) ``
(HIC) `Welcome to antechamber 20.0: molecular input file processor.`
(HIC) ``
(HIC) `Info: Finished reading file
(C:\Users\myHP\AppData\Local\Temp\tmp8t49fojj\ante.in.mol2); atoms read (32),
bonds read (32).`
(HIC) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(HIC) `Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j
part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(HIC) `/usr/bin/antechamber: Fatal Error!`
(HIC) `Cannot properly run "C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac".`
(HIC) `No such file or directory`
Failure running ANTECHAMBER for residue HIC Check reply log for details
> coulombic protein range -10,10
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\myHP\AppData\Local\Temp\tmp9teu92i_\ante.in.mol2 -fi mol2 -o
C:\Users\myHP\AppData\Local\Temp\tmp9teu92i_\ante.out.mol2 -fo mol2 -c bcc -nc
0 -j 5 -s 2 -dr n
(HIC) ``
(HIC) `Welcome to antechamber 20.0: molecular input file processor.`
(HIC) ``
(HIC) `Info: Finished reading file
(C:\Users\myHP\AppData\Local\Temp\tmp9teu92i_\ante.in.mol2); atoms read (32),
bonds read (32).`
(HIC) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(HIC) `Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j
part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(HIC) `/usr/bin/antechamber: Fatal Error!`
(HIC) `Cannot properly run "C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac".`
(HIC) `No such file or directory`
Failure running ANTECHAMBER for residue HIC Check reply log for details
> coulombic :1-72, 74-375 range -10,10
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\myHP\AppData\Local\Temp\tmp53jgcy2f\ante.in.mol2 -fi mol2 -o
C:\Users\myHP\AppData\Local\Temp\tmp53jgcy2f\ante.out.mol2 -fo mol2 -c bcc -nc
0 -j 5 -s 2 -dr n
(HIC) ``
(HIC) `Welcome to antechamber 20.0: molecular input file processor.`
(HIC) ``
(HIC) `Info: Finished reading file
(C:\Users\myHP\AppData\Local\Temp\tmp53jgcy2f\ante.in.mol2); atoms read (32),
bonds read (32).`
(HIC) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(HIC) `Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j
part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(HIC) `/usr/bin/antechamber: Fatal Error!`
(HIC) `Cannot properly run "C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac".`
(HIC) `No such file or directory`
Failure running ANTECHAMBER for residue HIC Check reply log for details
> delete :hic
> coulombic protein range -10,10
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for mutant4_A SES surface #1.2: minimum, -18.10, mean -2.62,
maximum 10.75
> select :6110
Nothing selected
> select :61
9 atoms, 8 bonds, 1 residue, 1 model selected
> preset "initial styles" "original look"
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> close
> open 3mfp format mmcif fromDatabase pdb
3mfp title:
Atomic model of F-actin based on a 6.6 angstrom resolution cryoEM map [more
info...]
Chain information for 3mfp #1
---
Chain | Description
A | Actin, α skeletal muscle
Non-standard residues in 3mfp #1
---
ADP — adenosine-5'-diphosphate
3mfp mmCIF Assemblies
---
1| representative helical assembly
2| helical asymmetric unit
3| helical asymmetric unit, std helical frame
> color bynucleotide
> color bynucleotide
Alignment identifier is 1/A
> surface
> coulombic
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIC (net charge +0) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\myHP\AppData\Local\Temp\tmphr9qv0v0\ante.in.mol2 -fi mol2 -o
C:\Users\myHP\AppData\Local\Temp\tmphr9qv0v0\ante.out.mol2 -fo mol2 -c bcc -nc
0 -j 5 -s 2 -dr n
(HIC) ``
(HIC) `Welcome to antechamber 20.0: molecular input file processor.`
(HIC) ``
(HIC) `Info: Finished reading file
(C:\Users\myHP\AppData\Local\Temp\tmphr9qv0v0\ante.in.mol2); atoms read (32),
bonds read (32).`
(HIC) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(HIC) `Running: C:/Program Files/ChimeraX 1.2.5/bin/amber20/bin/bondtype -j
part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(HIC) `/usr/bin/antechamber: Fatal Error!`
(HIC) `Cannot properly run "C:/Program Files/ChimeraX
1.2.5/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac".`
(HIC) `No such file or directory`
Failure running ANTECHAMBER for residue HIC Check reply log for details
> preset "initial styles" "original look"
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
OpenGL version: 3.3.14739 Core Profile Forward-Compatible Context 21.6.1 27.20.22001.14011
OpenGL renderer: AMD Radeon(TM) RX Vega 10 Graphics
OpenGL vendor: ATI Technologies Inc.
Manufacturer: HP
Model: HP Laptop 17-ca1xxx
OS: Microsoft Windows 10 Home (Build 19042)
Memory: 14,942,511,104
MaxProcessMemory: 137,438,953,344
CPU: 8 AMD Ryzen 7 3700U with Radeon Vega Mobile Gfx
OSLanguage: en-US
Locale: ('en_US', 'cp936')
PyQt5 5.15.2, Qt 5.15.2
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
Babel: 2.9.1
backcall: 0.2.0
blockdiag: 2.0.1
certifi: 2020.12.5
cftime: 1.5.0
chardet: 3.0.4
ChimeraX-AddCharge: 1.0.1
ChimeraX-AddH: 2.1.6
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-Atomic: 1.13.2
ChimeraX-AtomicLibrary: 3.1.3
ChimeraX-AtomSearch: 2.0
ChimeraX-AtomSearchLibrary: 1.0
ChimeraX-AxesPlanes: 2.0
ChimeraX-BasicActions: 1.1
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 1.1
ChimeraX-BondRot: 2.0
ChimeraX-BugReporter: 1.0
ChimeraX-BuildStructure: 2.5.2
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.1
ChimeraX-ButtonPanel: 1.0
ChimeraX-CageBuilder: 1.0
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.1
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.1
ChimeraX-ColorActions: 1.0
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.2.1
ChimeraX-CommandLine: 1.1.4
ChimeraX-ConnectStructure: 2.0
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.2.5
ChimeraX-CoreFormats: 1.0
ChimeraX-coulombic: 1.1.1
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0
ChimeraX-DataFormats: 1.1
ChimeraX-Dicom: 1.0
ChimeraX-DistMonitor: 1.1.3
ChimeraX-DistUI: 1.0
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ExperimentalCommands: 1.0
ChimeraX-FileHistory: 1.0
ChimeraX-FunctionKey: 1.0
ChimeraX-Geometry: 1.1
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.0
ChimeraX-Hbonds: 2.1
ChimeraX-Help: 1.1
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.0
ChimeraX-ImageFormats: 1.1
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-Label: 1.0
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.1
ChimeraX-Map: 1.0.2
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.0
ChimeraX-Markers: 1.0
ChimeraX-Mask: 1.0
ChimeraX-MatchMaker: 1.2.1
ChimeraX-MDcrds: 2.2
ChimeraX-MedicalToolbar: 1.0.1
ChimeraX-Meeting: 1.0
ChimeraX-MLP: 1.1
ChimeraX-mmCIF: 2.3
ChimeraX-MMTF: 2.1
ChimeraX-Modeller: 1.0.1
ChimeraX-ModelPanel: 1.0.1
ChimeraX-ModelSeries: 1.0
ChimeraX-Mol2: 2.0
ChimeraX-Morph: 1.0
ChimeraX-MouseModes: 1.1
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nucleotides: 2.0.1
ChimeraX-OpenCommand: 1.5
ChimeraX-PDB: 2.4.1
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.1
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.0.1
ChimeraX-PubChem: 2.0.1
ChimeraX-ReadPbonds: 1.0
ChimeraX-Registration: 1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-ResidueFit: 1.0
ChimeraX-RestServer: 1.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 2.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.4
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SeqView: 2.3
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0
ChimeraX-Shortcuts: 1.0
ChimeraX-ShowAttr: 1.0
ChimeraX-ShowSequences: 1.0
ChimeraX-SideView: 1.0
ChimeraX-Smiles: 2.0.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.3.1
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-Struts: 1.0
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0
ChimeraX-SwapRes: 2.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.0.1
ChimeraX-ToolshedUtils: 1.2
ChimeraX-Tug: 1.0
ChimeraX-UI: 1.7.6
ChimeraX-uniprot: 2.1
ChimeraX-UnitCell: 1.0
ChimeraX-ViewDockX: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0
ChimeraX-WebServices: 1.0
ChimeraX-Zone: 1.0
colorama: 0.4.3
comtypes: 1.1.7
cxservices: 1.0
cycler: 0.10.0
Cython: 0.29.21
decorator: 5.0.9
distlib: 0.3.1
docutils: 0.16
filelock: 3.0.12
funcparserlib: 0.3.6
grako: 3.16.5
h5py: 2.10.0
html2text: 2020.1.16
idna: 2.10
ihm: 0.17
imagecodecs: 2020.5.30
imagesize: 1.2.0
ipykernel: 5.3.4
ipython: 7.18.1
ipython-genutils: 0.2.0
jedi: 0.17.2
Jinja2: 2.11.2
jupyter-client: 6.1.7
jupyter-core: 4.7.1
kiwisolver: 1.3.1
line-profiler: 2.1.2
lxml: 4.6.2
lz4: 3.1.0
MarkupSafe: 2.0.1
matplotlib: 3.3.2
msgpack: 1.0.0
netCDF4: 1.5.4
networkx: 2.5
numexpr: 2.7.3
numpy: 1.19.2
numpydoc: 1.1.0
openvr: 1.14.1501
packaging: 20.9
ParmEd: 3.2.0
parso: 0.7.1
pickleshare: 0.7.5
Pillow: 7.2.0
pip: 21.0.1
pkginfo: 1.5.0.1
prompt-toolkit: 3.0.18
psutil: 5.7.2
pycollada: 0.7.1
pydicom: 2.0.0
Pygments: 2.7.1
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 2.4.7
PyQt5-commercial: 5.15.2
PyQt5-sip: 12.8.1
PyQtWebEngine-commercial: 5.15.2
python-dateutil: 2.8.1
pytz: 2021.1
pywin32: 228
pyzmq: 22.0.3
qtconsole: 4.7.7
QtPy: 1.9.0
RandomWords: 0.3.0
requests: 2.24.0
scipy: 1.5.2
setuptools: 50.3.2
sfftk-rw: 0.6.7.dev1
six: 1.15.0
snowballstemmer: 2.1.0
sortedcontainers: 2.2.2
Sphinx: 3.2.1
sphinxcontrib-applehelp: 1.0.2
sphinxcontrib-blockdiag: 2.0.0
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
suds-jurko: 0.6
tables: 3.6.1
tifffile: 2020.9.3
tinyarray: 1.2.3
tornado: 6.1
traitlets: 5.0.5
urllib3: 1.25.11
wcwidth: 0.2.5
webcolors: 1.11.1
wheel: 0.36.0
wheel-filename: 1.3.0
WMI: 1.5.1
File attachment: antechanber error.PNG
antechanber error.PNG
Added by email2trac