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    你好:

    我在哪里能够下载到各种各样的x3xml的分子结构图文件?目前除了软件自带的,我在网络不知道哪里能找到其他分子结构图文件,您能推荐一些下载网站或者网友分享的论坛吗?

    期待您的答复,谢谢。

    Hello,

    How can i download various c3xml (Chem3D xml file) file format of structure in you website?

    I use a Chem3D trial version and want to download some c3xml (Chem3D xml file) file format of structure, but i don't know where to download c3xml file, could you share the website or forum where i can download it?


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    I got this eorror when users try to submit sample to registration.

    E-Notebook V13 (oracle)

    CBOE Framework Version: 12.6.2.0119

    Registration

    ---------------------------

    Registration Results:

    Sample 1: Registration is not Successful. ChemDraw control version not supported in server side. Server version: ChemDraw Viewer ActiveX Control 14.0.0.117 (required a registered Ultra version)

    ---------------------------

    OK

    Thanks.

    Peter


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    Hey,

    I was wondering if there was a way to change the settings of the "clean up reaction" feature in ChemBioDraw 14.

    Things I would like to change for example are the arrow lengths. I like how the standard settings look. But for the document, I am writing, space is an issue. So I would like to have shorter arrows and less space between arrows and molecules to consolidate the whole scheme.

    Is it possible to do that?

    Kind regards,
    basseur


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    I created a personal ChemDraw items folder (e.g. C:\example) which was added to the ChemDraw Items location through Preferences -> Directories. Template files (*.ctp) are working fine from within this custom directory, however, nicknames (stored as *.cdxml) fail to be recognized. When placed in the default nickname folder C:\ProgramData\PerkinElmerInformatics\ChemOffice2017\ChemDraw\ChemDraw Items\Nicknames they work fine.

    Is this the expected behaviour or am I doing something wrong?


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  • 04/08/18--08:35: Chem3D to U3D Conversion
  • We have a requirement to convert the Chem3D files to U3D format to create the PDF embedded with 3D images.

    Can you please let us know if we have provision to convert?


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    I have ChemBioOffice 15.1 and Gaussian 09W installed on Windows 7 x64.
    I have checked a checkbox "Always display interface to... even if calculation engine is not present" under File -> Preferences -> General.
    But I still do not see "Gaussian intreface" under Calculation menu.
    How can I turn it on?
    Actually I don't even need to run Gaussian from Chem3D, I only need to generate the job files for Gaussian.


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    - In Harmony save the results file to be imported into HCP as “Evaluation Results per well and Object (Tab-separated Text)” (SettingsData Management Export Data). This will produce an “indexfile.txt” file together with an accompanying Objects Population file containing the results.

    - In Spotfire with HCP:

    - File menu … Open … “Index File” … OK

    - File menu … Add Data tables

    o AddFile then select your objects file for instance in this example we will refer to it as “Objects Population Nuclei”

    o Select “Tab” delimiter and Refresh

    o Ignore the first rows from “Database Name” to “[Data]”

    o Set the row containing Row, Column, Plane etc to the “Name row”

    o OK

    o From “Add Data Tables” view click “Manage Relations…”

    o Select to “Show relations for: “indexfile” and click “New”

    Left data table : indexfile Right data table : “Objects Population Nuclei”

    Left column: Column Right column: Column

    (no methods in either table)

    OK

    - Insert menu … Columns

    o In Insert Columns - Select Source

    § Add columns to data table: select “Objects Population Nuclei”

    § Add columns from: From Current Analysis and select “indexfile”

    § Next

    o In Insert Columns – Match Columns

    § Match; Row, Column, Plane, Timepoint and Field from current to new data

    § Finish

    - Insert … Visualization … In this example set Data table to “Objects Population Nuclei” (this will yield an analysis view to work with, adjust columns as required)

    - Insert menu … Transformations

    o Data table: “Objects Population Nuclei”

    o Transformation: Pivot

    o Add

    o In “Pivot Data”dialog:

    § Row identifiers; Row, Column, Plane, Timepoint, Field, Object No

    § Column titles (%C): Channel Name

    § Values (%V) and aggregation methods (%M): URL

    § Column naming pattern: (%V) for %C ( This uses the Values with Column title in the naming separated by “for” )

    § In Tranfer columns (%T) and aggregartion methods (%A).

    · Click on the down arrow to the right of None in this field and “Select Columns”

    · In Available columns field, select all or a subset of columns and click “Add>”

    · In “Selected columns” field select all columns and change Aggregation to “First” check that all are listed as “First” then click OK

    § Transfer column naming pattern: %T ( %T this will set the name of the columns from the Transfer columns)

    § Check the “Sample” view at the bottom of the dialog, if it looks good click OK.

    - At this point you should see a URL per channel for each object line in the table

    - Tools menu … Image DiscoveryInsert Image Column

    - Choose a rule type to be used from the dropdown for Harmony Data:

    o Harmony URL Cell Image Rule – Rule supports rendering of cropped cell images in TIFF format with cell level result files from Harmony

    OR

    o Harmony URL Field Image Rule – Rule supports rendering of field images in TIFF format with result files from Harmony

    - Choose the “Value” for the URL, this will be one of the three channels i.e “URL for BOBO-3”

    - Click OK, check the rendering then add other Image Columns as required i.e 1 per channel

    More info on Pivots Data in Spotfire here:

    https://docs.tibco.com/pub/spotfire/7.0.1/doc/html/data/data_details_on_pivot_data.htm


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    Dear ChemDraw Community,

    I use ChemDraw15 on a Mac for drawing the molecules for my thesis, which I write using LaTeX.

    For automatically numbering the chemicals throughout my theisis I use the package ChemNum. This package replaces placeholders with the number in .eps (Encapsulated Post-Script) files that I create out of my ChemDraw file.

    For some chemical reactions I need italic typesetting (i.e. t-BuOH or E-Isomer) and this gets lost during the conversion from ChemDraw to .eps.

    Does anyone have a solution for my problem?
    Please note that using ChemDraw16 is no viable option, since the generated .eps files by this version do not work with ChemNum at all (For whatever reason, I couldn't find the mistake. If somebody has a solution for this I'd be glad as well)!

    Best wishes
    Christoph


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    I have often pasted ChemDraw structures into Word documents as pictures (enhanced metafiles). This can minimize the file size of a document when multiple structures or schemes are pasted. It also prevents others from editing the ChemDraw structures (if necessary).

    When I recently tried to perform a paste special from ChemDraw Pro 17.0.0.206 to Word 2013 as picture (enhanced metafile), most of the ChemDraw scheme pasted correctly, but a caption under one structure wrapped into a long vertical line.

    I have never seen this error on previous versions of ChemDraw and MS Word.

    Thanks.


    0 0

    hi, after doubleclicking a .cfx file in Windows Explorer or a Desktop shortcut to the cfx-file, ChemFinder 17 opens but only the frame of the application and the toolbars are visible, the form isn`t visible. I have to click File/Open and select the wanted file, after that the file opens with a visible form. This behaviour is new, doubleclick worked fine before. Could it be possible that the change to Windows10 and/or the update to ChemOffice 17 causes the problem ? thanks in advance, stefan

    0 0

    Convert Name to Structure command for caproic acid draws capric acid instead. Caprylic acid and capric acid are drawn correctly. ChemDraw Pro 17.0.0.206.


    0 0

    I'm attempting to put a batch file together to push a COP17 install silently to campus labs. The problem I'm encountering is with the Python extension in ChemScript and the Activate program. I'm using the admin activation guide provided by PerkinElmer which lists all the individual install packages required, but it provides no unattended setup information for the Phyton extension (which does not use MSI). The rest does. Furthermore, the activate.exe program continutes to prompt for user activation - wanting an activation code to be provided. I've created the necessary activate.ini file according to the guide's instructions but it doesn't seem to recognize it when I drop it into the script folder. I've put it in the same folder as the Activate.exe program as well as with the install.exe (which is mentioned in the guide). Here's the batch script I'm using - it is run from the same location as the extracted install folders/files. I've bolded the two problem areas. I appreciate anyone willing to put another set of eyes on this and tell me what I'm missing.


    %~dp0Windows\ThirdParty\Microsoft\VCRedist\vcredist_x86.exe /q /norestart

    %~dp0Windows\PerkinElmer\ChemOffice\PerkinElmer_ChemOffice_Professional_2017.msi /qn /norestart

    %~dp0Windows\ThirdParty\Microsoft\VCRedist\vcredist_x64.exe /q /norestart

    %~dp0Windows\PerkinElmer\ChemOffice\PerkinElmer_ChemOffice_64-bit_Support_17.0.msi /qn /norestart

    %~dp0Windows\PerkinElmer\ChemScript\PerkinElmer_ChemScript_17.0.msi /qn /norestart

    %~dp0Windows\ThirdParty\Python\python-3.2.2.msi /qn /norestart

    %~dp0Windows\ThirdParty\PythonExt\pywin32-217.win32-py3.2.exe

    %WINDIR%\System32\REG ADD HKLM\SOFTWARE\PerkinElmerInformatics\17.0 /v FNOServer /d https://perkinelmer.flexnetoperations.com/control/prkl/deviceservices /f /reg:32

    %~dp0Windows\PerkinElmer\Activation\Activate.exe ChemBioOffice Ultra 17.0 IsInstaller


    0 0
  • 04/08/18--08:35: chemoffice pro 2017
  • Hi there,

    when try to active the chemdraw 17, I always get this unreasonable error. It looks like your support need active our site license on your license server every time for each installation. I have to call your support to active it each time. This needs to be fixed so I don’t have to call the number (call 1-888-715-4687 (within the USA) ) for every install.

    Any suggestions.

    Regards,

    Peter

    ** error **

    ---------------------------

    View the FNE Operations Log

    ---------------------------

    Activation failed. This may be due to an incorrect system date/time setting - if this is wrong please correct it and try again.

    Otherwise please try 'Deactivate' (dismiss the 'Deactivation could not be confirmed' message) followed by 'Activate'.

    Currently the 2 most recent errors (if any are present, otherwise the 2 most recent entries) are being displayed.

    Press 'Yes' to view all of the most recent entries.

    Press 'No' to dismiss this dialog.

    FNE operations log:

    2:20 PM: ERROR: processing capability response - ErrorCode: 0x7000001A: [1,7E1,2,0[7000001A,0,45034D]]

    The allowed time to process response has expired. (0x7000001A)

    ---------------------------

    Yes No

    ---------------------------

    ---------------------------

    View the FNE Operations Log

    ---------------------------

    Activation failed. This may be due to an incorrect system date/time setting - if this is wrong please correct it and try again.

    Otherwise please try 'Deactivate' (dismiss the 'Deactivation could not be confirmed' message) followed by 'Activate'.

    Currently all of the most recent entries are being displayed.

    Press 'Yes' to view the 2 most recent errors (if any are present, otherwise the 2 most recent entries).

    Press 'No' to dismiss this dialog.

    FNE operations log:

    2:20 PM: ERROR: processing capability response - ErrorCode: 0x7000001A: [1,7E1,2,0[7000001A,0,45034D]]

    The allowed time to process response has expired. (0x7000001A)

    2:20 PM: INFO: talked to https://perkinelmer.flexnetoperations.com/control/prkl/deviceservices - sent request and received response

    ---------------------------

    Yes No

    ---------------------------

    ---------------------------

    View the FNE Operations Log

    ---------------------------

    Activation failed. This may be due to an incorrect system date/time setting - if this is wrong please correct it and try again.

    Otherwise please try 'Deactivate' (dismiss the 'Deactivation could not be confirmed' message) followed by 'Activate'.

    Currently the 2 most recent errors (if any are present, otherwise the 2 most recent entries) are being displayed.

    Press 'Yes' to view all of the most recent entries.

    Press 'No' to dismiss this dialog.

    FNE operations log:

    2:20 PM: ERROR: processing capability response - ErrorCode: 0x7000001A: [1,7E1,2,0[7000001A,0,45034D]]

    The allowed time to process response has expired. (0x7000001A)

    ---------------------------

    Yes No

    ---------------------------

    ---------------------------

    View the FNE Operations Log

    ---------------------------

    Activation succeeded but no activated licenses were found.

    Currently the 2 most recent errors (if any are present, otherwise the 2 most recent entries) are being displayed.

    Press 'Yes' to view all of the most recent entries.

    Press 'No' to dismiss this dialog.

    FNE operations log:

    10:48 AM: INFO: number of features in TS after processing capability response: 0

    10:48 AM: INFO: status - category: public, code: 19 (Activation ID/Host owner mismatch), details: 1BBF-xxxxxxxxActivation Code*****

    ---------------------------

    Yes No


    0 0
  • 04/08/18--08:35: Sprout three bonds
  • Hi. I'm modifying the ChemDraw (v17) hotkeys file, trying to get a specific key to make an atom sprout three bonds (as in changing a methyl to a t-butyl group). I believe this could be done with older versions of the application, but I can't find the way to make it work in this one. I think I've tried with all different values of the "SPROUT" command, but the one to sprout three separate single bonds seems to have disappeared. Any help would be greatly appreciated!


    0 0

    All,

    When using Chemdraw 16.0 I accidentally dragged the main toolbar to the right side of my screen and it got stuck on the sidebar. User manual for v.15 says that toolbar can be docked to the top of the screen by doubleclicking, or undocked by dragging it onto the workspace.

    Neither of these worked for me (I have a high DPI display and run into bugs like this with the interface all the time) so I tried flipping around my scaling compatability settings for the program (can sometimes fix these issues). However, after flipping back and forth from Application driven scaling compatability, THIS is what I'm dealing with as a result (see screenshot). The main toolbar is extremely small, takes up a full 1/3 of the program screen on the left side, and still can't be dragged back to the main workspace.

    Please let me know if anyone else on a high DPI machine has had this issue and how to fix. I've been using the program on my machine for 2 months and run into issues like this with the interface CONSTANTLY, PerkinElmer and Cambridge soft really need to fix this for v.17


    0 0

    I would like a query to see who is active in the system: username, start of session, end of session, and what user group they belong to (site collection, ie, Albany Chemistry Group).

    Thanks,

    Tom Chau

    ENotebook Sys Admin


    0 0

    Hello,

    I am exporting my ChemDraw files as eps because I have placed markers which are getting substituted with a labeling system inside LaTeX. In order to have same fonts, I installed the latex-font Computer Modern on my Windows system, and ChemDraw recognizes it. However, exporting the file as eps somehow changes the font (to Times Roman I think).

    I have read that it might be that certain programs just support a small number of fonts when it comes to eps.

    Has anyone a suggestion of how I can get my desired font into the eps (and keeping the markers I placed)?


    0 0

    I am using ChemOffice 17, and I have MOPAC2016 installed. In Chem3D I optimize the geometry using the MOPAC interface and then I calculate the Electrostatic Potental and Molecular Surface properties. I have tried going through all the different settings but the Molecular Electrostatic Potential option under Surfaces is always grayed out.

    Am I missing a step to be able to show the ESP map?


    0 0

    This is a known issue and our Development team we will be fixing this bug in the next release.

    The user needs to be enabled in the backend so that the removed user shows up in the user table.

    - Please contact Koel Misra to add the user in the backend, provide the domain email address.


    0 0
  • 04/08/18--08:35: ChemScript in web app
  • I've written a .NET webservice that uses ChemScript 17. It works perfectly on my local machine, but when I publish to my Win2012 R2 server running IIS I get the error below when I instantiate the StructureData class. Are there restrictions to using ChemScript in a web app? Are there certain permissions I need to give on C:\Program Files (x86)\PerkinElmerInformatics\ChemOffice2017\ChemScript\Lib?

    Could not load file or assembly 'CambridgeSoft.ChemScript17, Version=17.0.0.0, Culture=neutral, PublicKeyToken=65bb58ea6feffb0a' or one of its dependencies. The system cannot find the file specified.


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