Volunteer software developers needed for NE-1...

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Godzilla1138

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Dec 8, 2012, 2:27:40 AM12/8/12
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Hi,

I have had some luck modifying NE-1 for use as a CAD tool to build
molecule templates as a beginning step
for molecular dynamics simulations. If you are interested in MD,
chemistry, physics, mathematics, computer science, etc... please
consider working on the following project:

https://sourceforge.net/projects/moleculardynami/

I create templates using NE-1 then populate an MD cell using modified
version of PACKMOL and finally run a modified version of msi2lmp from
the LAMMPS tools distribution to build the final LAMMPS geometry input
file.

Thank you,

-Bruce

Eugen Leitl

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Dec 8, 2012, 5:05:23 AM12/8/12
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Sounds like a great project. When trying to make it workd on Windows 7 (64 bit)
I'm getting an error on startup, and the following error log
in main.exe.log

Traceback (most recent call last):
File "main.py", line 143, in ?
File "main.py", line 138, in _start_NE1
File "ne1_startup\main_startup.pyc", line 129, in startup_script
File "ne1_ui\MWsemantics.pyc", line 38, in ?
File "model\elements.pyc", line 41, in ?
File "model\Elem.pyc", line 25, in ?
File "model\atomtypes.pyc", line 27, in ?
File "geometry\VQT.pyc", line 23, in ?
File "Numeric.pyc", line 91, in ?
File "multiarray.pyc", line 12, in ?
File "multiarray.pyc", line 10, in __load
ImportError: DLL load failed: The parameter is incorrect.

Eugen Leitl

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Dec 8, 2012, 5:10:49 AM12/8/12
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On Sat, Dec 08, 2012 at 11:05:23AM +0100, Eugen Leitl wrote:
> On Fri, Dec 07, 2012 at 11:27:40PM -0800, Godzilla1138 wrote:
> > Hi,
> >
> > I have had some luck modifying NE-1 for use as a CAD tool to build
> > molecule templates as a beginning step
> > for molecular dynamics simulations. If you are interested in MD,
> > chemistry, physics, mathematics, computer science, etc... please
> > consider working on the following project:
> >
> > https://sourceforge.net/projects/moleculardynami/
> >
> > I create templates using NE-1 then populate an MD cell using modified
> > version of PACKMOL and finally run a modified version of msi2lmp from
> > the LAMMPS tools distribution to build the final LAMMPS geometry input
> > file.
>
> Sounds like a great project. When trying to make it workd on Windows 7 (64 bit)
> I'm getting an error on startup, and the following error log
> in main.exe.log

I guess this is the known
"NanoEngineer-1 for Windows 7

The only way to run NE1 in Windows 7 is to install Windows Mode XP and run it from there."
issue.

> Traceback (most recent call last):
> File "main.py", line 143, in ?
> File "main.py", line 138, in _start_NE1
> File "ne1_startup\main_startup.pyc", line 129, in startup_script
> File "ne1_ui\MWsemantics.pyc", line 38, in ?
> File "model\elements.pyc", line 41, in ?
> File "model\Elem.pyc", line 25, in ?
> File "model\atomtypes.pyc", line 27, in ?
> File "geometry\VQT.pyc", line 23, in ?
> File "Numeric.pyc", line 91, in ?
> File "multiarray.pyc", line 12, in ?
> File "multiarray.pyc", line 10, in __load
> ImportError: DLL load failed: The parameter is incorrect.
--
Eugen* Leitl <a href="http://leitl.org">leitl</a> http://leitl.org
______________________________________________________________
ICBM: 48.07100, 11.36820 http://www.ativel.com http://postbiota.org
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Bruce Allen

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Dec 8, 2012, 7:21:48 PM12/8/12
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You are correct sir!

I hear, but I have never tried running XP compatability mode. I think it would work.
Updating NE-1 for Windows 7 SP1 would be better.

You can also run under Windows 7 with out SP1, which works for me.

-Bruce

Bruce Allen

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Dec 8, 2012, 7:32:06 PM12/8/12
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This shows the DLL relink problem. If the DLLs distributed with NE-1 were relinked under Windows 7 SP1 the problem would go away.

Kirka

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Dec 12, 2012, 12:21:07 PM12/12/12
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I made it work from source on win 7 x64, it's buggy though.
That's my branch with install instructions: https://github.com/elfion/nanoengineer

Bruce Allen

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Sep 18, 2019, 9:42:16 PM9/18/19
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I had NE-1 development environement working well on Windows 7 using Python 2.4.4. I'm still kicking myself for not writing down or losing the development setup instructions. 

I have a Python24 directory that was installed correctly on Win 7 x64 and I can move it to Win 10 and run NE-1 in debug using WingIDE 3.2. I have the following files and have been 
working to recreate the Python24 directory - no success so far.


bsddb3-4.4.2.win32-py2.4.exe
ctypes-1.0.2.win32-py2.4.exe
db-4.5.20.msi
ez_setup.py          <== expects cheeseshop URL which no longer exists
gle32.dll
glut-3.7.6-bin.zip
MinGW.rar
numarray-1.5.2.win32-py2.4.exe
Numeric-23.8.win32-py2.4.exe
numpy-1.0.3.win32-py2.4.exe
PIL-1.1.6.win32-py2.4.exe
PyOpenGL-3.0.0a6-py2.4.egg
PyQt-win-gpl-4.3.3.zip
python-2.4.msi
qt-win-opensource-4.3.5-mingw.exe
sip-4.7.4.zip
Pyrex-0.9.9.win32.exe
Py2exe-0.6.9.win32-py2.4.exe

wingide-personal-3.2.12-1.exe

If you have the windows installation instructions from the original Nanorex site please send me a copy. I can provide copies of the above files.

Thank you!

-bruce
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Xinjia Zhao

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Apr 20, 2021, 4:10:17 AM4/20/21
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I've been running NE-1 for Win10(64 bit). Suddenly a bug occurred and I cannot open NE-1 anymore. I uninstall and re-install NE-1, but I still cannot open it. Everytime I doubleclick it, the log repeats:
微信截图_20210420160725.png
Traceback (most recent call last):
  File "main.py", line 143, in ?
  File "main.py", line 138, in _start_NE1
  File "ne1_startup\main_startup.pyc", line 145, in startup_script
  File "ne1_ui\MWsemantics.pyc", line 202, in __init__
  File "ne1_ui\Ui_MainWindow.pyc", line 72, in setupUi
  File "ne1_ui\Ui_MainWindow.pyc", line 167, in _setupMenus
  File "ne1_ui\menus\Ui_FileMenu.pyc", line 56, in setupUi
  File "ne1_ui\MWsemantics.pyc", line 2653, in createOpenRecentFilesMenu
UnicodeEncodeError: 'ascii' codec can't encode characters in position 14-17: ordinal not in range(128)

Anything can fix it? Looking forward for your reply. Thanks.

Bruce Allen

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Apr 20, 2021, 12:52:29 PM4/20/21
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Hello,

Please tell me the version of windows 10 you are using. If you got to the Settings-> System->About you can find the following:

Edition:            Windows 1o Pro
Version            20H2
Installed on      4/7/2021
OS Build          19042.928
Experience       Windows Feature Experience Pack 120.2212.551.0

Please tell me if you are running the last original version of NAnoEngineer-1 software distributed by Nanorex or from the Molecular Dynamics Studio blog
If you are running from the Molecular Dynamics Studio  software you need to add the Library.zip file into the installation to replace the generic file.

If I were you, I would install the original version of NanoEngineer-1 and start it to see if the problem exists. This could be a problem created by a Win 10 upgrade.

I'm sorry the software is having issues.

Thank you,

-bruce












On Tue, Apr 20, 2021 at 2:08 AM Xinjia Zhao <zhao...@gmail.com> wrote:
I've been running NE-1 for Win10(64 bit). Suddenly a bug occurred and I cannot open NE-1 anymore. I uninstall and re-install NE-1, but I still cannot open it. Everytime I doubleclick the it, the log repeats:
微信截图_20210420160725.png
Traceback (most recent call last):
  File "main.py", line 143, in ?
  File "main.py", line 138, in _start_NE1
  File "ne1_startup\main_startup.pyc", line 145, in startup_script
  File "ne1_ui\MWsemantics.pyc", line 202, in __init__
  File "ne1_ui\Ui_MainWindow.pyc", line 72, in setupUi
  File "ne1_ui\Ui_MainWindow.pyc", line 167, in _setupMenus
  File "ne1_ui\menus\Ui_FileMenu.pyc", line 56, in setupUi
  File "ne1_ui\MWsemantics.pyc", line 2653, in createOpenRecentFilesMenu
UnicodeEncodeError: 'ascii' codec can't encode characters in position 14-17: ordinal not in range(128)

Anything can fix it? Looking forward for your reply. Thanks.

在2012年12月8日星期六 UTC+8 下午3:27:40<clau...@gmail.com> 写道:

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Xinjia Zhao

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Apr 20, 2021, 10:16:42 PM4/20/21
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Hello Bruce,

My desktop Windows version is:
Edition:            Windows 10 家庭中文版
Version            2004
Installed on      2/8/2021
OS Build          19041.928
Experience       Windows Feature Experience Pack 120.2212.551.0

And my laptop Windows version is:
Edition:            Windows 10 家庭中文版
Version            1909
Installed on      2/22/2020
OS Build          18363.1500

Both of them have the same bug.

I'm using  NanoEngineer-1 software distributed by Molecular Dynamics Studio blog - Windows release 2019. I notice that the library.zip file is already in the installation. I wonder if I need to copy another Library.zip file to replace it.

 微信截图_20210421094508.png

The Nanorex website http://nanorex.com/ and NanoEngineer-1 Wiki website could not be accessed. So, I don't have the original version of NanoEngineer-1.  Maybe I'll try a virtual machine of an older version of Windows for NanoEngineer-1. I really appreciate your help. 
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