Overview

Anyone who has ever tried to enter screen information into a crystallization LIMS system will tell you it's not fun. Each screen vendor has its own format for screen formulations so you can't simply import text files. Ingredient names are often inconsistent from screen to screen, and critical information such as buffer titration data is not easily available. There is usually no information to specify what stocks are needed to reproduce a particular condition. Each customer should not have to hand-enter data into their LIMS system - it's a very error-prone process and should be done by the vendor. To solve these problems, Formulatrix has created Rock Maker XML - an XML-based file format for screen formulations and ingredient information.

Each screen condition contains the part number of stocks needed to reproduce the condition. Each screen file comes complete with detailed Ingredient information: harmonized names, aliases, CAS numbers, buffer data, and preparation notes. Several vendors have made their screens available in xml format on their websites. For those vendors who don't provide the files, we at Formulatrix have created files for direct download. Select a vendor above for further details.

Please click the links below for more details. Download XML Schema | View Sample XML

Terms of Use

Our intent is to make RMXML an open format that can be used free of charge, and we welcome its use by all. The only restrictions to the use of Rock Maker XML are defined in the following notice:

Rock Maker XML schema copyright (©) 2009 by Formulatrix, Inc., www.formulatrix.com
This XML file is generated according to the Rock Maker XML schema. Formulatrix grants you the license to freely use, generate and redistribute XML documents conforming to the Rock Maker XML schema PROVIDED

  • you do not extend or modify the schema and
  • this entire notice appears unmodified at the top of every file.
Axygen Biosciences

Axygen Biosciences

The following screens are available in Rock Maker XML format at:

http://www.axygenbio.com/collections/initial-screens

Rigaku Reagents

Rigaku Reagents

ADDit Download Wizard HT Download
BetaMem Download Wizard I & II Download
Cryo1&2 Download Wizard I Download
Cubic Download Wizard II Download
JCSG+ Download Wizard III Download
pHat Download Wizard IV Download
Precipitant Synergy Download Wizard 3&4 Download
Precipitant Synergy 33% Download Wizard PEG Ion 1K & 4K Download
Precipitant Synergy 67% Download Wizard PEG Ion 8K & 10K Download
Precipitant Synergy 100-67-33 Download    
       

Hampton Research

Additive Screen Download Index HT Download
Crystal Screen Download Grid Screen Sodium Malonate Download
Crystal Screen 2 Download Ionic Liquid Download
Crystal Screen Cryo Download Sol & Stab2 Download
Crystal Screen Cryo 2 Download MembFac Download
Crystal Screen HT Download MembFacHT Download
Crystal Screen Lite Download Natrix Download
Detergent Download Natrix 2 Download
GRAS Screens Download Natrix HT Download
GRAS1 Download PEG/Ion Download
GRAS2 Download PEG/Ion 2 Download
GRAS3 Download PEG/Ion HT Download
GRAS4 Download PEGRx 1 Download
GRAS5 Download PEGRx 2 Download
GRAS6 Download PEGRx HT Download
GRAS7 Download Quick Screen Download
GRAS8 Download Salt HT Download
Grid Screen MPD Download SaltRx Download
Grid Screen NaCl Download SaltRx 2 Download
Grid Screen NH4SO4 Download SaltRX HT Download
Grid Screen PEG 6000 Download Silver Bullets Download
Grid Screen PEG LiCl Download Silver Bullets Bio Download
Grid Screen Salt HT Download Slice pH Download
Grid Screen Salt Download Sol Stab Download
Crystal Screen Cryo HT Download Stock Options Download
       

 

Jena Bioscience

The following screens are available in Rock Maker XML format at:

http://www.jenabioscience.com/cms/en/1/browse/632_screens.html

 

Click Here to download an excel spreadsheet with a list of screen errors and mutations.

 

Microlytic

Anatrace

Analytic_Crystallizer Download TOP96 Download
MCSG 1 Download MCSG 2 Download
MCSG 3 Download MCSG 4 Download
Super COMBI Download PurePegs96 Download

 

Molecular Dimensions

Molecular Dimensions

3D Structure Download Lipidic Spongephase Res Download
Ångstrom Additive screen Download MembSys Download
Calixar Download Mini Download
Clear Strategy I Download Morpheus Download
Clear Strategy II Download Morpheus Additive Download
Eco Series Screens Download Morpheus II Download
Helix Download NR-LBD Download
JCSG+ I Download PACT Premier HTS Download
JCSG+ II Download PACT Download
JCSG+ HTS Download PGA MD Download
LMB Screen Download ProPlex Download
MacroSol I Download Structure I + II Download
MacroSol II Download SturaFootprint I Download
MembGold Download SturaFootprint II Download
MembGold II Download Stura+ MacroSol HT Download
MembPlus Download UM MembPlus Download
MembStart Download VariX Download
Memmeso Download Shotgun Download
MemAdvantage Download Lipidic Spongephase Drop Download
Midas Download    

 

QIAGEN

QIAGEN

The following screens are available in Rock Maker XML format at:

http://www1.qiagen.com/Products/Protein/Crystallization/CompositionTables/Default.aspx

 

Sigma-Aldrich

Sigma-Aldrich

Basic Kit Download
Cryo Kit Download
DNA Kit Download
Extension Kit Download
High Throughput Kit Download
Low Ionic Kit Download
Membrane Kit Download
PEG Grid Kit Download
Protein Complex Kit Download
RNA Kit Download

 

How to repair your screens

Formulatrix strives to keep all the screen composition info correct and up to date. Screen recipes change over time, and sometimes we find inconsistencies between the published formulations in XML, XLS and PDF formats on the vendor sites. For you, as a user of the RockMaker screen database, it is important to double-check the composition of all screen conditions that you want to use in an optimization experiment (Grid or Random experiments). If you do find one or more of these inconsistencies in your database you can follow the guidelines below, or ask support@formulatrix.com for help.

The best way to repair thescreens in your database depends on whether you already have used them in experiments or not. Click Here to download an excel spreadsheet with a list of screen fixes.

Scenario 1: Screen is not in use.

  • Download the XML import file of the screen you want to repair.
  • Open the screen in Rock Maker by double clicking the icon.
  • Right click on the condition list layer and select “Delete Layer”

repair your screens

  • Right click on the now empty canvas again and select “Import XML screen”, follow the instructions on the import tool.

repair your screens

  • Save the screen by pressing CtrL-S.

Scenario 2: Screen is in use.

In this scenario the Condition List Layer cannot be deleted. It is easiest to repair the individual conditions of the screen. To do this, you will first have to allow screen repair.

  • Go to Tools → System Properties
  • Scroll down to the property “Screen: Allow Screen Experiment Repair”, set this property to “true”

repair your screens

  • Now make your changes folowing the attached spreadsheet. You can Add ingredients to a condition, delete ingredients from a condition, or just modify them by selecting from the pull down menu. After saving the changes, these changes will be propagated to all experiments that use this screen.

repair your screens

  • When you are done with screen repair, do not forget to set the Screen Experiment Repair property back to “false” to avoid problems later on.

NOTE:
If your RockMaker installation uses User Access Control you will need to be Administrator in order to make these changes.
If you feel unconfortable making these changes or if you encounter problems please contact Support at: support@formulatrix.com.

Description of Elements

The following text describes the RMXML schema elements. The element hierarchy describes how elements are related with other elements. The elements indented with respect to the previous element are supposed to be contained by it.

Importing Ingredients
While importing an ingredient, its name, short name, all aliases and all CAS numbers are searched in the existing ingredientstosee if an existing ingredient has one or more of the following fields matched with the corresponding fields of the ingredientbeing imported.

  • Name
  • Short name
  • Aliases
  • CAS Numbers

Determine if the ingredient being imported in fact exists in the system with another name, alias or CAS number and make the decision whether to merge it into the existing ingredient. or save it as a new ingredient by changing the conflicting elementtomake it different from the existing element. This eliminates the possibility of ingredients getting duplicated in the system