Regarding usage, installing CPLEX & CarveMe #41
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Hi, The package seems to be interesting, and would like to give a shot on my data. I have a sweet of prokaryotic MAGs and would like to run the GEM pipeline on it without starting from assembly and MAG generation. Is it possible to do so? |
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Replies: 16 comments 11 replies
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Hi Shail, Absolutely! Since metaGEM is implemented as a series of Snakemake rules, it is possible to use the pipeline in a modular fashion. You can simply begin with the Please note that you will need to obtain a free academic license and manually install the CPLEX solver to use CarveMe. You can use CarveMe as a standalone tool or through the metaGEM pipeline. If you run CarveMe through metaGEM, note that the Snakefile will identify your MAGs by searching for files with extension Finally, if your MAGs come from short-read data and you have the time/resources, I would encourage you to try using metaGEM for MAG reconstruction to see if it yields better quality MAGs. You may also find this tutorial useful to see how metaGEM can be used. Let me know if you have any further questions and thank you for your interest in the pipeline! Best wishes, |
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Thanks. i will try to set it up and run |
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Hi, unfortunately, my request to obtain a free academic license was rejected (even though my the university is eligible for the program). I tried with another colleague and same response for him also. |
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Hi Shail, sorry to hear that. I think the link I had in the README file was broken, is this the portal where you tried to get the license from? Did they give a reason for rejecting your request? |
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Yes. i saw the previous link was not correct. I used this link. Unfortunately, it seems my university is not a registered member to avail IBM academic initiative program. Is there any other way, because to register is a long process and has to go through university officials. |
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That is a shame, I hope your university can register successfully. If you have access to a high performance computer cluster you could check if CPLEX is installed and loadable as a module, or you could ask your cluster support people if they are able to install CPLEX on the cluster for you. Alternatively you could try using the gurobi solver instead of CPLEX, as discussed in this issue from the CarveMe repository, although I have never tried using gurobi with CarveMe and it seems like it may not give you the same results. |
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Thanks. unfortunately, CPLEX isnt installed on my lab server. I did manage to get gurobi solver license. So if am not wrong, Activate metagem env. and install gurobi solver. Is that correct? |
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Glad you could get the gurobi solver. Your installation procedure sounds correct to me, although you do not need the prokka-roary environment to run CarveMe. Try activating the metagem environment and run the command
If you cloned the github repo then the media_db file should be under the Scripts folder. M3 is complete media, but you can use any media in the database or even create your own custom media based on BiGG metabolite IDs. |
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CarveMe cannot locate the gurobi solver and throws error saying Solver cplex not available carve -g M3 -v --mediadb /home/mcs/soft/metaGEM/Scripts/media_db.tsv --fbc2 -o /home/mcs/miniconda3/envs/metagem/test_MAG_output.xml /home/mcs/miniconda3/envs/metagem/SN_MAG_00001-contigs.faa |
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It worked after changing the default solver to gurobi in CarveME config.cfg file. the output is a .tsv file and an XML file. How to visualize this data into a graphical model. SN_MAG_00001-contigs.tsv.txt what is --fbc2 in the above carve command? Similarly, how to build a custom media_db.tsv file (for say I want to construct a model outputting ammonia production and the associated organisms within the metagenome) |
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Good to hear that you are able to get CarveMe running. The tsv file you can ignore as it is an intermediate file, your output model is the .xml file.
Since metaGEM is designed to reconstruct thousands of genome scale metabolic models from metagenomes I did not include any visualization of individual models. Instead, after generating many models you can run the
This should generate the For quick individual model visualization I can recommend the fluxer webtool. You may also find the memote webtool useful for quick inspection of individual models.
As described in the documentation, the
Yes, SMETANA is already implemented into the metaGEM workflow, the
I have not tried creating my own media recipes yet, and this is something you will need to do manually. For example if you want to create a new medium called M42 with metabolites leucine, glucose, and tryptophan then you would add to the end of the
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Thanks. I tried a single model with fluxer and it works nicely. will try modelvis once I run the pipeline on all MAGs. You said the M3 is a complete media, does it mean that it encompasses all the metabolic reactions of prokaryotes? |
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I am not sure what you mean by encompassing all metabolic reactions of prokaryotes. If you mean that this media should support the growth of prokaryotes then yes, although there are of course prokaryotes that are not presently cultivable due to unknown growth conditions/physiology. You can look into the media_db.tsv file and search for M3 to see which metabolites are present, and to get an overview of what is in M3 you can also look at Fig. 1 panel D of this paper:
Since I am not intimately familiar with the implementation details I encourage you to look at the methods/supplementary sections of the CarveMe paper. Sorry for the late response, hope it helps! |
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Closing this due to lack of activity but please re-open if you have any follow up questions. |
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Hi,It seems I have installed the cplex,but "RuntimeError: Solver cplex not available." Tue Nov 29 05:55:12 CST 2022 Free Memory: 6343 kB 2 Command Line Args: java.class.path: ZGUtil.CLASS_PATH: sun.boot.class.path: java.ext.dirs: java.version == 1.8.0_144 (Java 1) Installed Feature(s) Application, Help of IBM ILOG CPLEX Enterprise Server 12.8.0 Install Begin: NOVEMBER 29, 2022 5:49:23 PM CST Installed by InstallAnywhere 18.0 Premier Build 5608 User Interactions#Indicate whether the license agreement been accepted #Choose Install Folder #Install SummaryInstallation: Successful null 223 Successes Action Notes: None Install Log Detail: Check Disk Space: /opt/IBM/ILOG/CPLEX_Enterprise_Server128 Check Disk Space: /opt/ibm/ILOG/CPLEX_Enterprise_Server128 Check Disk Space: /media/lizhihua/software/metaGEM/envs/metagem/bin Check Disk Space: /media/lizhihua/software/metaGEM/envs/metagem/bin Install Directory: /media/lizhihua/software/metaGEM/envs/metagem/bin/ Custom Action: com.ibm.lex.lap.ia.LAFiles_IA Install Directory: /media/lizhihua/software/metaGEM/envs/metagem/bin/license/ 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Execute Command: chmod a+x /media/lizhihua/software/metaGEM/envs/metagem/bin//bin//* |
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Li, please read the discussion above. The solution to your problem is directly answered in this comment, looks like you probably didnt install the CPLEX python api. |
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Hi Shail,
Absolutely! Since metaGEM is implemented as a series of Snakemake rules, it is possible to use the pipeline in a modular fashion. You can simply begin with the
bash metaGEM.sh --task carveme
command, which will use the CarveMe tool for generating your metabolic models.Please note that you will need to obtain a free academic license and manually install the CPLEX solver to use CarveMe. You can use CarveMe as a standalone tool or through the metaGEM pipeline. If you run CarveMe through metaGEM, note that the Snakefile will identify your MAGs by searching for files with extension
.faa
under theprotein_bins
subfolder. Also note that CarveMe takes as input ORF annotated protein fas…