Installing in Pipeline Pilot ChemAxon components

User 20e27ee911

12-01-2011 10:31:20

Hi,


I need help installing.


In the Pipeline pilot 7.5, S.O. Windows.


I followed the following steps:


To install the ChemAxon components and example protocols:


1.  Extract the contents of ChemAxon_for_Pipeline_Pilot_1_8_j53.zip to
    <scitegic root>\apps
    This will create a "chemaxon" directory under "apps".


2. Copy the necessary library files:
   (this applies even if you have Marvin license only, as available
    functions are controlled by license keys anyway)


- Obtain the jchem .zip package from the ChemAxon website.
    http://www.chemaxon.com/jchem/download.html />    "Cross platform package without installer"
    (e.g. "jchem_5_1_03.zip" - using the latest stable version is recommended)


- Extract the .zip file to an arbitrary location. Under the "jchem"
    directory you will find a "lib" directory.


- Copy the contents of the "lib" directory of the JChem package under
    <scitegic root>\apps\chemaxon\toolkit\lib
       
3.  Open a command window


4.  Change directory to <scitegic_root>\bin


5.  Only for Linux PP servers: type "source ppvars.sh"


6.  Run "pkgutil -r chemaxon/toolkit" to register the components


But has generated error.


Attached error.

User 20e27ee911

12-01-2011 10:34:28

Maybe you should use jchem_5_1_03.zip, but I have not found.


I used jchem-5[1].4.0.1

ChemAxon 9c0afc9aaf

12-01-2011 20:23:19

Hi,


From version 1.8 (latest) the component collection requires Pipeline Pilot 8.0 or newer.


The README.txt in the downloaded package may incorrectly state "recommended" but we have fixed this on the site and for upcoming releases - apologies for the inconvenience.


(Using JChem 5.4.0.1 with the package 1.8 is fine and recommended)


 


For  PP 7.5 you may use one of the earlier packages (e.g. 1.7) from the "Archive" section of the download page.


Please note that version 1.7 only supports JChem 5.3.


Direct link to the 1.7 version:


http://www.chemaxon.com/download.php?d=/data/download/pp/archive/ChemAxon_for_Pipeline_Pilot_1_7_j53.zip


Direct link to the JChem 5.3.8 package:


http://www.chemaxon.com/download.php?d=/data/download/jchem/archives/jchem-5.3.8.zip


 


If possible we would recommend upgrading to PP 8.0 and using the latest JChem though to be able to access the latest features.


Is upgrading PP to 8.0 a feasible option for you ?


Please let us know if you have to stick with 7.5 for a while for some reason (and how long you are planning to use that version), and if you would like to use the latest component collection.


Based on the situation we might consider reverting to 7.5 compatibility for a while if necessary in a patch release (e.g. 1.8.1) - it would require some development effort though.


We might also consider re-building the 1.7 version for JChem 5.4.0.1 compatibility if necessary.


You can let us know of confidential details via the support e-mail address listed at the header of the forum page.


Feedback from other users is also welcome on this subject either here or trough e-mail.


 


Best regards,


 


Szilard

ChemAxon 9c0afc9aaf

15-01-2011 01:55:53

Hi,


 


Good news:


We have decided to restore compatibility with PP 7.5 and maintain it in the future over a longer period. 


We will release a patch release (1.8.1) very soon with 7.5 compatibility restored.


 


Best regards,


Szilard

ChemAxon 9c0afc9aaf

16-01-2011 22:13:26

Hi,


 


Version 1.8.1 has been released, the component collection is compatible again with Pipeline Pilot version 7.5 (or later).


 


Best regards,


 


Szilard 

21-01-2011 18:44:14










Szilard wrote:

Hi,


 


Version 1.8.1 has been released, the component collection is compatible again with Pipeline Pilot version 7.5 (or later).


 


Best regards,


 


Szilard 



Hi Szilard,


Is this version without the installer available? Also the readme in the latest version is missing the upgrade section.


Thanks,


Warren

ChemAxon 9c0afc9aaf

21-01-2011 19:15:30

Hi Warren,


 


Is this version without the installer available? 

The component collection does not have an installer, you have to manually perform the few steps mentioned in README.txt.


It is quite a simple process - should not take too long.


We are planning to introduce some simple batch files / shell scripts to further ease the registration of components a bit - resulting in maybe even 1 or 2 steps less in the future. 


No installer as such is planned currently.


Also the readme in the latest version is missing the upgrade section.

I have checked the latest packages:


ChemAxon_for_Pipeline_Pilot_1_8_1_j53.zip 


ChemAxon_for_Pipeline_Pilot_1_8_1_j54.zip 


They both seem to contain the relevant sections:




VII. UPGRADING THE COMPONENT COLLECTION




1. In a command window change directory to <scitegic_root>/bin

2. Run "pkgutil -u chemaxon/toolkit" to deactivate the components

3. Move the old chemaxon directory under <scitegic_root>/apps out of the way

   (e.g. delete or rename)

4. Follow "INSTALLATION INSTRUCTIONS" above to install the new component

   collection

   




VIII. UPGRADING THE JCHEM / MARVIN VERSION




1. Simply replace the contents of the <scitegic_root>/apps/chemaxon/toolkit/lib

   directory with the fresh version from the new JChem package.

   (See "INSTALLATION INSTRUCTIONS" Step 2.)

   No restart required.




2. To change the Marvin Applet version, replace the "marvin" directory

   under <scitegic_root>/apps/scitegic/core/web/bin/ with the new applet version.

   (See "INSTALLATION INSTRUCTIONS" Step 8.)

   No restart required. 

Actually since we have recently reduced the number of steps, the bold part should read:


(See "INSTALLATION INSTRUCTIONS" Step 7.)



It will be fixed in the next version.


 


Best ,


 


Szilard

21-01-2011 20:23:37











Hi Szillard,


You are right about the update paragraph, I must have overlooked it multiple times but found it in the earlier version.


The non-installer version question was for JChem 5.4 where I can't find a .zip, just the installer.


Thanks,


Warren

ChemAxon 9c0afc9aaf

21-01-2011 22:05:49










wwade wrote:











 


The non-installer version question was for JChem 5.4 where I can't find a .zip, just the installer.



You can find the .zip version of the latest JChem (5.4.0.1, recommended) here:


https://www.chemaxon.com/download/jchem/jchem-for-java/


Look for "Cross platform package without installer".


Direct link:


https://www.chemaxon.com/download.php?d=/data/download/jchem/jchem-5.4.0.1.zip


(JChem version 5.4.0.0 is not supported by the component collection.)


 


Best regards,


 


Szilard