Opened 22 months ago

Last modified 22 months ago

#10449 feedback defect

QOpenGLShader::compile: syntax error

Reported by: petersx1@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: Graphics Version:
Keywords: Cc: Tom Goddard
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Windows-10-10.0.19045
ChimeraX Version: 1.7 (2023-12-19 08:36:03 UTC)
Description
Hi there,

I am trying to run antechamber on my ligand and add a AM1-BCC charge. However I keep getting an error. I have searche the internet and also tried to follow the suggestions but they do not work. Please could you assist?

Using Amber 20 recommended default charges and atom types for standard residues
Assigning partial charges to residue 0 (net charge -3) with am1-bcc method
Running ANTECHAMBER command: C:/Program Files/ChimeraX/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.in.mol2 -fi mol2 -o C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.out.mol2 -fo mol2 -c bcc -nc -3 -j 5 -s 2 -dr n
(0)
(0) Welcome to antechamber 20.0: molecular input file processor.
(0)
(0) Info: Finished reading file (C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.in.mol2); atoms read (46), bonds read (48).
(0) Info: Determining atomic numbers from atomic symbols which are case sensitive.
(0) Running: "C:/Program Files/ChimeraX/bin/amber20/bin/bondtype" -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
(0) bash.exe: warning: could not find /tmp, please create!
(0)
(0)
(0) Running: "C:/Program Files/ChimeraX/bin/amber20/bin/atomtype" -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff
(0) bash.exe: warning: could not find /tmp, please create!
(0) Info: Total number of electrons: 260; net charge: -3
(0)
(0) Running: "C:/Program Files/ChimeraX/bin/amber20/bin/sqm" -O -i sqm.in -o sqm.out
(0) bash.exe: warning: could not find /tmp, please create!
(0) /usr/bin/antechamber: Fatal Error!
(0) Cannot properly run ""C:/Program Files/ChimeraX/bin/amber20/bin/sqm" -O -i sqm.in -o sqm.out".
Charges failed to converge using fast method; re-running using slower more stable method
Running ANTECHAMBER command: C:/Program Files/ChimeraX/bin/amber20/bin/antechamber -i C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.in.mol2 -fi mol2 -o C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.out.mol2 -fo mol2 -c bcc -nc -3 -j 5 -s 2 -dr n
(0)
(0) Welcome to antechamber 20.0: molecular input file processor.
(0)
(0) Info: Finished reading file (C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.in.mol2); atoms read (46), bonds read (48).
(0) Info: Determining atomic numbers from atomic symbols which are case sensitive.
(0) Running: "C:/Program Files/ChimeraX/bin/amber20/bin/bondtype" -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
(0) bash.exe: warning: could not find /tmp, please create!
(0)
(0)
(0) Running: "C:/Program Files/ChimeraX/bin/amber20/bin/atomtype" -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff
(0) bash.exe: warning: could not find /tmp, please create!
(0) Info: Total number of electrons: 260; net charge: -3
(0)
(0) Running: "C:/Program Files/ChimeraX/bin/amber20/bin/sqm" -O -i sqm.in -o sqm.out
(0) bash.exe: warning: could not find /tmp, please create!
(0)
(0) Running: "C:/Program Files/ChimeraX/bin/amber20/bin/am1bcc" -i ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p "C:/Program Files/ChimeraX/bin/amber20/dat/antechamber/BCCPARM.DAT" -s 2 -j 1
(0) bash.exe: warning: could not find /tmp, please create!
(0)
(0) Running: "C:/Program Files/ChimeraX/bin/amber20/bin/atomtype" -f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC
(0) bash.exe: warning: could not find /tmp, please create!
(0)
Charges for residue 0 determined

Log:
UCSF ChimeraX version: 1.7 (2023-12-19)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

QOpenGLShader::compile(Fragment): ERROR: 4:1: 'textureSampler' : syntax error
syntax error  
  
  

*** Problematic Fragment shader source code ***  
#version 110  
#ifdef GL_KHR_blend_equation_advanced  
#extension GL_ARB_fragment_coord_conventions : enable  
#extension GL_KHR_blend_equation_advanced : enable  
#endif  
#define lowp  
#define mediump  
#define highp  
#line 1  
varying highp vec2 uv;uniform sampler2DRect textureSampler;uniform bool
swizzle;uniform highp float opacity;void main() { highp vec4 tmpFragColor =
texture2DRect(textureSampler,uv); tmpFragColor.a *= opacity; gl_FragColor =
swizzle ? tmpFragColor.bgra : tmpFragColor;}  
***  

> open C:\Users\User\Documents\kerinew\system5\complex.pdb format pdb

Chain information for complex.pdb  
---  
Chain | Description  
1.2/A | No description available  
  

> select #1.2/A

10683 atoms, 10811 bonds, 672 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> ui tool show "Add Hydrogens"

[Repeated 1 time(s)]

> addh #1.1

Summary of feedback from adding hydrogens to complex.pdb #1.1  
---  
notes | Chain-initial residues that are actual N termini:  
Chain-initial residues that are not actual N termini:  
Chain-final residues that are actual C termini:  
Chain-final residues that are not actual C termini:  
0 hydrogen bonds  
11 hydrogens added  
  

> ui tool show "Add Charges"

Closest equivalent command: addcharge & sel standardizeResidues
5BU,CSL,MSE,UMS  
Using Amber 20 recommended default charges and atom types for standard
residues  
Assigning partial charges to residue 0 (net charge -3) with am1-bcc method  
Running ANTECHAMBER command: C:/Program
Files/ChimeraX/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.in.mol2 -fi mol2 -o
C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.out.mol2 -fo mol2 -c bcc -nc
-3 -j 5 -s 2 -dr n  
(0) ``  
(0) `Welcome to antechamber 20.0: molecular input file processor.`  
(0) ``  
(0) `Info: Finished reading file
(C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.in.mol2); atoms read (46),
bonds read (48).`  
(0) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`  
(0) `Running: "C:/Program Files/ChimeraX/bin/amber20/bin/bondtype" -j part -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`  
(0) `bash.exe: warning: could not find /tmp, please create!`  
(0) ``  
(0) ``  
(0) `Running: "C:/Program Files/ChimeraX/bin/amber20/bin/atomtype" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`  
(0) `bash.exe: warning: could not find /tmp, please create!`  
(0) `Info: Total number of electrons: 260; net charge: -3`  
(0) ``  
(0) `Running: "C:/Program Files/ChimeraX/bin/amber20/bin/sqm" -O -i sqm.in -o
sqm.out`  
(0) `bash.exe: warning: could not find /tmp, please create!`  
(0) `/usr/bin/antechamber: Fatal Error!`  
(0) `Cannot properly run ""C:/Program Files/ChimeraX/bin/amber20/bin/sqm" -O
-i sqm.in -o sqm.out".`  
Charges failed to converge using fast method; re-running using slower more
stable method  
Running ANTECHAMBER command: C:/Program
Files/ChimeraX/bin/amber20/bin/antechamber -i
C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.in.mol2 -fi mol2 -o
C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.out.mol2 -fo mol2 -c bcc -nc
-3 -j 5 -s 2 -dr n  
(0) ``  
(0) `Welcome to antechamber 20.0: molecular input file processor.`  
(0) ``  
(0) `Info: Finished reading file
(C:\Users\User\AppData\Local\Temp\tmpq4cnj_qu\ante.in.mol2); atoms read (46),
bonds read (48).`  
(0) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`  
(0) `Running: "C:/Program Files/ChimeraX/bin/amber20/bin/bondtype" -j part -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`  
(0) `bash.exe: warning: could not find /tmp, please create!`  
(0) ``  
(0) ``  
(0) `Running: "C:/Program Files/ChimeraX/bin/amber20/bin/atomtype" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`  
(0) `bash.exe: warning: could not find /tmp, please create!`  
(0) `Info: Total number of electrons: 260; net charge: -3`  
(0) ``  
(0) `Running: "C:/Program Files/ChimeraX/bin/amber20/bin/sqm" -O -i sqm.in -o
sqm.out`  
(0) `bash.exe: warning: could not find /tmp, please create!`  
(0) ``  
(0) `Running: "C:/Program Files/ChimeraX/bin/amber20/bin/am1bcc" -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p "C:/Program
Files/ChimeraX/bin/amber20/dat/antechamber/BCCPARM.DAT" -s 2 -j 1`  
(0) `bash.exe: warning: could not find /tmp, please create!`  
(0) ``  
(0) `Running: "C:/Program Files/ChimeraX/bin/amber20/bin/atomtype" -f ac -p
bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`  
(0) `bash.exe: warning: could not find /tmp, please create!`  
(0) ``  
Charges for residue 0 determined  




OpenGL version: 3.3.0 - Build 20.19.15.4549
OpenGL renderer: Intel(R) HD Graphics 4600
OpenGL vendor: Intel

Python: 3.11.2
Locale: en_ZA.cp1252
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: windows

Manufacturer: Dell Inc.
Model: XPS 8700
OS: Microsoft Windows 10 Enterprise (Build 19045)
Memory: 17,093,038,080
MaxProcessMemory: 137,438,953,344
CPU: 8 Intel(R) Core(TM) i7-4790 CPU @ 3.60GHz
OSLanguage: en-US

Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    asttokens: 2.4.1
    Babel: 2.14.0
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 0.10.0
    certifi: 2023.11.17
    cftime: 1.6.3
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.13
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.1
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.49.1
    ChimeraX-AtomicLibrary: 12.1.3
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.10.5
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.3.2
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.5
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    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-IUPAC: 1.0
    ChimeraX-Label: 1.1.8
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.13
    ChimeraX-ModelPanel: 1.4
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.1
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.1
    ChimeraX-PDB: 2.7.3
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.3
    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: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.11
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.2
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.3
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.33.2
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.3.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.3
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.0
    comtypes: 1.1.14
    contourpy: 1.2.0
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 0.29.33
    debugpy: 1.8.0
    decorator: 5.1.1
    docutils: 0.19
    executing: 2.0.1
    filelock: 3.9.0
    fonttools: 4.47.0
    funcparserlib: 2.0.0a0
    glfw: 2.6.4
    grako: 3.16.5
    h5py: 3.10.0
    html2text: 2020.1.16
    idna: 3.6
    ihm: 0.38
    imagecodecs: 2023.9.18
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.1.1
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.5.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.3
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.8
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.8
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 23.2
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pickleshare: 0.7.5
    Pillow: 10.0.1
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 4.1.0
    prompt-toolkit: 3.0.43
    psutil: 5.9.5
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.16.1
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.2801
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    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: 2023.3.post1
    pywin32: 305
    pyzmq: 25.1.2
    qtconsole: 5.4.3
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.7
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.5
    sphinxcontrib-htmlhelp: 2.0.4
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.6
    sphinxcontrib-serializinghtml: 1.1.9
    stack-data: 0.6.3
    superqt: 0.5.0
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.4
    traitlets: 5.9.0
    typing-extensions: 4.9.0
    tzdata: 2023.3
    urllib3: 2.1.0
    wcwidth: 0.2.12
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.9
    WMI: 1.5.1
File attachment: complex.pdb

complex.pdb

Attachments (1)

complex.pdb (838.2 KB ) - added by petersx1@… 22 months ago.
Added by email2trac

Download all attachments as: .zip

Change History (8)

by petersx1@…, 22 months ago

Attachment: complex.pdb added

Added by email2trac

comment:1 by Eric Pettersen, 22 months ago

Cc: Eric Pettersen added
Component: UnassignedGraphics
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionQOpenGLShader::compile: syntax error

Reported by Xylia Peters

The charge computation itself worked.

comment:2 by Tom Goddard, 22 months ago

It looks like the OpenGL shader error happens as soon as you start ChimeraX before opening any data. Is that right?

That OpenGL shader is not from ChimeraX code we wrote. I don't know whether it is a Qt window toolkit shader or an Amber shader (does Amber use the GPU, and would it be initializing at startup?).

I guess I'd think it is a Qt window toolkit shader that is being reported as having a problem. That might make some part of the ChimeraX user interface not render correctly.

It very likely is a problem with your computer's Intel graphics driver. Updating your graphics driver is probably the only way to fix that.

Log:
UCSF ChimeraX version: 1.7 (2023-12-19)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

QOpenGLShader::compile(Fragment): ERROR: 4:1: 'textureSampler' : syntax error
syntax error  
  
  

*** Problematic Fragment shader source code ***  
#version 110  
#ifdef GL_KHR_blend_equation_advanced  
#extension GL_ARB_fragment_coord_conventions : enable  
#extension GL_KHR_blend_equation_advanced : enable  
#endif  
#define lowp  
#define mediump  
#define highp  
#line 1  
varying highp vec2 uv;uniform sampler2DRect textureSampler;uniform bool
swizzle;uniform highp float opacity;void main() { highp vec4 tmpFragColor =
texture2DRect(textureSampler,uv); tmpFragColor.a *= opacity; gl_FragColor =
swizzle ? tmpFragColor.bgra : tmpFragColor;}  
***  

> open C:\Users\User\Documents\kerinew\system5\complex.pdb format pdb

comment:3 by PetersX1@…, 22 months ago

Good day,

I hope you are doing well.

Thanks for your response. However, my graphic driver is up to date. I have even downloaded this software onto another laptop and the error message is still present at start up. Surely this cannot be for all devices and is an issue with the software?

Kind regards,
Xylia
________________________________
From: ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu>
Sent: Tuesday, January 9, 2024 11:45 PM
To: Xylia Quintina Peters <PetersX1@ukzn.ac.za>; goddard@cgl.ucsf.edu <goddard@cgl.ucsf.edu>
Cc: pett@cgl.ucsf.edu <pett@cgl.ucsf.edu>
Subject: Re: [ChimeraX] #10449: QOpenGLShader::compile: syntax error

#10449: QOpenGLShader::compile: syntax error
---------------------------------+-------------------------
Reporter: petersx1@… | Owner: Tom Goddard
Type: defect | Status: assigned
Priority: normal | Milestone:
Component: Graphics | Version:
Resolution: | Keywords:
Blocked By: | Blocking:
Notify when closed: | Platform: all
Project: ChimeraX |
---------------------------------+-------------------------
Comment (by Tom Goddard):

It looks like the OpenGL shader error happens as soon as you start
ChimeraX before opening any data. Is that right?

That OpenGL shader is not from ChimeraX code we wrote. I don't know
whether it is a Qt window toolkit shader or an Amber shader (does Amber
use the GPU, and would it be initializing at startup?).

I guess I'd think it is a Qt window toolkit shader that is being reported
as having a problem. That might make some part of the ChimeraX user
interface not render correctly.

It very likely is a problem with your computer's Intel graphics driver.
Updating your graphics driver is probably the only way to fix that.



{{{
Log:
UCSF ChimeraX version: 1.7 (2023-12-19)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX

QOpenGLShader::compile(Fragment): ERROR: 4:1: 'textureSampler' : syntax
error
syntax error



*** Problematic Fragment shader source code ***
#version 110
#ifdef GL_KHR_blend_equation_advanced
#extension GL_ARB_fragment_coord_conventions : enable
#extension GL_KHR_blend_equation_advanced : enable
#endif
#define lowp
#define mediump
#define highp
#line 1
varying highp vec2 uv;uniform sampler2DRect textureSampler;uniform bool
swizzle;uniform highp float opacity;void main() { highp vec4 tmpFragColor
=
texture2DRect(textureSampler,uv); tmpFragColor.a *= opacity; gl_FragColor
=
swizzle ? tmpFragColor.bgra : tmpFragColor;}
***

}}}
--
Ticket URL: <https://www.rbvi.ucsf.edu/trac/ChimeraX/ticket/10449#comment:2<https://protect-za.mimecast.com/s/U7GDC3lJV7COBmqks2jqRB?domain=rbvi.ucsf.edu>>
ChimeraX <https://www.rbvi.ucsf.edu/chimerax/<https://protect-za.mimecast.com/s/_E4rC48KGgtqoJgVIWlqgl?domain=rbvi.ucsf.edu>>
ChimeraX Issue Tracker

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comment:4 by Tom Goddard, 22 months ago

Cc: Tom Goddard added; Eric Pettersen removed
Owner: changed from Tom Goddard to Eric Pettersen

Your Intel graphics driver listed in this bug report is 20.19.15.4549 from 2016. It is almost surely the source of your problem. If that is the latest graphics driver available for your machine then there is nothing I can suggest. That graphics error that appears at startup might cause blank ChimeraX user interface panels, but it would not effect Antechamber in any way.

If you get the same graphics error on a different computer then that is bad luck. Of the thousands of Windows ChimeraX users no one else has reported that graphics problem.

I am guessing that you really were not trying to report the graphics error at startup, but were instead trying to report that Antechamber failed. It is not apparent from the Antechamber output you sent whether it computed charges or not.

I am reassigning this bug report to the person who knows about the many reasons Antechamber fails.

comment:5 by Eric Pettersen, 22 months ago

As mentioned in the first comment, the charge computation worked. It took two tries -- the first attempt with a faster set of parameters failed, but the second attempt with a slower set of parameters worked.

comment:6 by Tom Goddard, 22 months ago

Ok, so we need the reporter to explain what error they are reporting. If it is the graphics driver error, there is nothing we can do about a broken graphics driver if they cannot update it, and we can close this ticket.

comment:7 by Eric Pettersen, 22 months ago

Status: assignedfeedback
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