{
"jobs": [
{
"proteins": [
"protein_files/1KV2_cleaned_0001.pdb",
"protein_files/1KV2_cleaned_0002.pdb"
],
"ligands": [
"ligand_files/params/ac/AU.pdb",
"ligand_files/params/a9/AF.pdb",
"ligand_files/params/bc/AN.pdb",
"ligand_files/params/bc/AP.pdb",
"ligand_files/params/bd/AH.pdb",
"ligand_files/params/b1/AC.pdb",
"ligand_files/params/cf/AL.pdb",
"ligand_files/params/c1/AE.pdb",
"ligand_files/params/df/AG.pdb",
"ligand_files/params/d0/AS.pdb",
"ligand_files/params/f5/AJ.pdb",
"ligand_files/params/0a/AO.pdb",
"ligand_files/params/0c/AZ.pdb",
"ligand_files/params/02/AY.pdb",
"ligand_files/params/03/AT.pdb",
"ligand_files/params/05/AK.pdb",
"ligand_files/params/06/AB.pdb",
"ligand_files/params/07/AW.pdb",
"ligand_files/params/20/AV.pdb",
"ligand_files/params/56/AI.pdb",
"ligand_files/params/6d/AD.pdb",
"ligand_files/params/62/AR.pdb",
"ligand_files/params/8a/AX.pdb",
"ligand_files/params/8b/AQ.pdb",
"ligand_files/params/80/AA.pdb",
"ligand_files/params/80/AM.pdb"
],
"group_name": "1kv2_A"
}
],
"params": [
"ligand_files/params/ac/AU.params",
"ligand_files/params/a9/AF.params",
"ligand_files/params/bc/AN.params",
"ligand_files/params/bc/AP.params",
"ligand_files/params/bd/AH.params",
"ligand_files/params/b1/AC.params",
"ligand_files/params/cf/AL.params",
"ligand_files/params/c1/AE.params",
"ligand_files/params/df/AG.params",
"ligand_files/params/d0/AS.params",
"ligand_files/params/f5/AJ.params",
"ligand_files/params/0a/AO.params",
"ligand_files/params/0c/AZ.params",
"ligand_files/params/02/AY.params",
"ligand_files/params/03/AT.params",
"ligand_files/params/05/AK.params",
"ligand_files/params/06/AB.params",
"ligand_files/params/07/AW.params",
"ligand_files/params/20/AV.params",
"ligand_files/params/56/AI.params",
"ligand_files/params/6d/AD.params",
"ligand_files/params/62/AR.params",
"ligand_files/params/8a/AX.params",
"ligand_files/params/8b/AQ.params",
"ligand_files/params/80/AA.params",
"ligand_files/params/80/AM.params"
]
}
js换成以上报错
[FILE]: src/protocols/rosetta_scripts/RosettaScriptsParser.cc
[LINE]: 1305
[START_MESSAGE]
Input rosetta scripts XML file "dock.xml" failed to validate against the rosetta scripts schema. Use the option -parser::output_schema <output filename> to output the schema to a file to see all valid options.
Your XML has failed validation. The error message below will tell you where in your XML file the error occurred. Here's how to fix it:
1) If the validation fails on something obvious, like an illegal attribute due to a spelling error (perhaps you used scorefnction instead of scorefunction), then you need to fix your XML file.
2) If you haven’t run the XML rewriter script and this might be pre-2017 Rosetta XML, run the rewriter script (tools/xsd_xrw/rewrite_rosetta_script.py) on your input XML first. The attribute values not being in quotes (scorefunction=talaris2014 instead of scorefunction="talaris2014") is a good indicator that this is your problem.
3) If you are a developer and neither 1 nor 2 worked - email the developer’s mailing list or try Slack.
4) If you are an academic or commercial user - try the Rosetta Forums https://www.rosettacommons.org/forum
Error messages were:
From line 70:
Error: Element 'bean': This element is not expected. Expected is ( OUTPUT ).
65: <Add mover_name="low_res_dock"/>
66: <Add mover_name="high_res_dock"/>
67: <Add mover_name="reporting"/>
68: </PROTOCOLS>
69:
70: <bean id="ehCacheManager" class="org.springframework.cache.ehcache.EhCacheManagerFactoryBean">
71: <property name="configLocation" value="classpath:myEhcache.xml" />
72: </bean>
73:
74: </ROSETTASCRIPTS>
75:
------------------------------------------------------------
Warning messages were:
------------------------------------------------------------
[END_MESSAGE]
[END_CRASH_REPORT]
{
"jobs": [
{
"startfrom": [
-0.09919177495861707,
-0.5041369867243178,
0.23346573736977905
],
"proteins": [
"protein_files/1KV2_cleaned_0001.pdb",
"protein_files/1KV2_cleaned_0002.pdb",
"protein_files/1KV2.pdb",
"protein_files/1KV2_cleaned.pdb"
],
"ligands": [
"ligand_files/params/1f/A1.pdb",
"ligand_files/params/4a/BJ.pdb",
"ligand_files/params/a9/AF.pdb",
"ligand_files/params/0f/BD.pdb",
"ligand_files/params/bc/AP.pdb",
"ligand_files/params/bc/AN.pdb",
"ligand_files/params/cd/BL.pdb",
"ligand_files/params/06/AB.pdb",
"ligand_files/params/bd/AH.pdb",
"ligand_files/params/62/AR.pdb",
"ligand_files/params/b3/A7.pdb",
"ligand_files/params/b4/BF.pdb",
"ligand_files/params/03/BP.pdb",
"ligand_files/params/03/AT.pdb",
"ligand_files/params/84/A3.pdb",
"ligand_files/params/2f/BH.pdb",
"ligand_files/params/c4/A5.pdb",
"ligand_files/params/6d/BN.pdb",
"ligand_files/params/6d/AD.pdb",
"ligand_files/params/b5/A9.pdb",
"ligand_files/params/71/BB.pdb",
"ligand_files/params/cf/AL.pdb",
"ligand_files/params/0c/AZ.pdb",
"ligand_files/params/f5/AJ.pdb",
"ligand_files/params/8a/AX.pdb",
"ligand_files/params/20/AV.pdb",
"ligand_files/params/c1/AE.pdb",
"ligand_files/params/b8/A0.pdb",
"ligand_files/params/05/AK.pdb",
"ligand_files/params/de/A4.pdb",
"ligand_files/params/65/A6.pdb",
"ligand_files/params/ac/AU.pdb",
"ligand_files/params/b6/A2.pdb",
"ligand_files/params/d7/BI.pdb",
"ligand_files/params/a7/BC.pdb",
"ligand_files/params/80/AM.pdb",
"ligand_files/params/80/AA.pdb",
"ligand_files/params/8b/AQ.pdb",
"ligand_files/params/5b/BK.pdb",
"ligand_files/params/9f/BG.pdb",
"ligand_files/params/eb/BA.pdb",
"ligand_files/params/34/BE.pdb",
"ligand_files/params/df/AG.pdb",
"ligand_files/params/02/AY.pdb",
"ligand_files/params/07/AW.pdb",
"ligand_files/params/09/A8.pdb",
"ligand_files/params/37/BM.pdb",
"ligand_files/params/b1/AC.pdb",
"ligand_files/params/76/BO.pdb",
"ligand_files/params/56/AI.pdb",
"ligand_files/params/0a/AO.pdb",
"ligand_files/params/d0/AS.pdb"
],
"group_name": "1KV2_cleaned_0002.pdb"
},
{
"startfrom": [
0.5331153861987286,
-0.5511794810493787,
0.455115380577552
],
"proteins": [
"protein_files/1KV2_cleaned_0001.pdb",
"protein_files/1KV2_cleaned_0002.pdb",
"protein_files/1KV2.pdb",
"protein_files/1KV2_cleaned.pdb"
],
"ligands": [
"ligand_files/params/1f/A1.pdb",
"ligand_files/params/4a/BJ.pdb",
"ligand_files/params/a9/AF.pdb",
"ligand_files/params/0f/BD.pdb",
"ligand_files/params/bc/AP.pdb",
"ligand_files/params/bc/AN.pdb",
"ligand_files/params/cd/BL.pdb",
"ligand_files/params/06/AB.pdb",
"ligand_files/params/bd/AH.pdb",
"ligand_files/params/62/AR.pdb",
"ligand_files/params/b3/A7.pdb",
"ligand_files/params/b4/BF.pdb",
"ligand_files/params/03/BP.pdb",
"ligand_files/params/03/AT.pdb",
"ligand_files/params/84/A3.pdb",
"ligand_files/params/2f/BH.pdb",
"ligand_files/params/c4/A5.pdb",
"ligand_files/params/6d/BN.pdb",
"ligand_files/params/6d/AD.pdb",
"ligand_files/params/b5/A9.pdb",
"ligand_files/params/71/BB.pdb",
"ligand_files/params/cf/AL.pdb",
"ligand_files/params/0c/AZ.pdb",
"ligand_files/params/f5/AJ.pdb",
"ligand_files/params/8a/AX.pdb",
"ligand_files/params/20/AV.pdb",
"ligand_files/params/c1/AE.pdb",
"ligand_files/params/b8/A0.pdb",
"ligand_files/params/05/AK.pdb",
"ligand_files/params/de/A4.pdb",
"ligand_files/params/65/A6.pdb",
"ligand_files/params/ac/AU.pdb",
"ligand_files/params/b6/A2.pdb",
"ligand_files/params/d7/BI.pdb",
"ligand_files/params/a7/BC.pdb",
"ligand_files/params/80/AM.pdb",
"ligand_files/params/80/AA.pdb",
"ligand_files/params/8b/AQ.pdb",
"ligand_files/params/5b/BK.pdb",
"ligand_files/params/9f/BG.pdb",
"ligand_files/params/eb/BA.pdb",
"ligand_files/params/34/BE.pdb",
"ligand_files/params/df/AG.pdb",
"ligand_files/params/02/AY.pdb",
"ligand_files/params/07/AW.pdb",
"ligand_files/params/09/A8.pdb",
"ligand_files/params/37/BM.pdb",
"ligand_files/params/b1/AC.pdb",
"ligand_files/params/76/BO.pdb",
"ligand_files/params/56/AI.pdb",
"ligand_files/params/0a/AO.pdb",
"ligand_files/params/d0/AS.pdb"
],
"group_name": "1KV2_cleaned_0001.pdb"
}
],
"params": [
"ligand_files/params/1f/A1.params",
"ligand_files/params/4a/BJ.params",
"ligand_files/params/a9/AF.params",
"ligand_files/params/0f/BD.params",
"ligand_files/params/bc/AP.params",
"ligand_files/params/bc/AN.params",
"ligand_files/params/cd/BL.params",
"ligand_files/params/06/AB.params",
"ligand_files/params/bd/AH.params",
"ligand_files/params/62/AR.params",
"ligand_files/params/b3/A7.params",
"ligand_files/params/b4/BF.params",
"ligand_files/params/03/BP.params",
"ligand_files/params/03/AT.params",
"ligand_files/params/84/A3.params",
"ligand_files/params/2f/BH.params",
"ligand_files/params/c4/A5.params",
"ligand_files/params/6d/BN.params",
"ligand_files/params/6d/AD.params",
"ligand_files/params/b5/A9.params",
"ligand_files/params/71/BB.params",
"ligand_files/params/cf/AL.params",
"ligand_files/params/0c/AZ.params",
"ligand_files/params/f5/AJ.params",
"ligand_files/params/8a/AX.params",
"ligand_files/params/20/AV.params",
"ligand_files/params/c1/AE.params",
"ligand_files/params/b8/A0.params",
"ligand_files/params/05/AK.params",
"ligand_files/params/de/A4.params",
"ligand_files/params/65/A6.params",
"ligand_files/params/ac/AU.params",
"ligand_files/params/b6/A2.params",
"ligand_files/params/d7/BI.params",
"ligand_files/params/a7/BC.params",
"ligand_files/params/80/AM.params",
"ligand_files/params/80/AA.params",
"ligand_files/params/8b/AQ.params",
"ligand_files/params/5b/BK.params",
"ligand_files/params/9f/BG.params",
"ligand_files/params/eb/BA.params",
"ligand_files/params/34/BE.params",
"ligand_files/params/df/AG.params",
"ligand_files/params/02/AY.params",
"ligand_files/params/07/AW.params",
"ligand_files/params/09/A8.params",
"ligand_files/params/37/BM.params",
"ligand_files/params/b1/AC.params",
"ligand_files/params/76/BO.params",
"ligand_files/params/56/AI.params",
"ligand_files/params/0a/AO.params",
"ligand_files/params/d0/AS.params",
"ligand_files/params/1f/A1.params",
"ligand_files/params/4a/BJ.params",
"ligand_files/params/a9/AF.params",
"ligand_files/params/0f/BD.params",
"ligand_files/params/bc/AP.params",
"ligand_files/params/bc/AN.params",
"ligand_files/params/cd/BL.params",
"ligand_files/params/06/AB.params",
"ligand_files/params/bd/AH.params",
"ligand_files/params/62/AR.params",
"ligand_files/params/b3/A7.params",
"ligand_files/params/b4/BF.params",
"ligand_files/params/03/BP.params",
"ligand_files/params/03/AT.params",
"ligand_files/params/84/A3.params",
"ligand_files/params/2f/BH.params",
"ligand_files/params/c4/A5.params",
"ligand_files/params/6d/BN.params",
"ligand_files/params/6d/AD.params",
"ligand_files/params/b5/A9.params",
"ligand_files/params/71/BB.params",
"ligand_files/params/cf/AL.params",
"ligand_files/params/0c/AZ.params",
"ligand_files/params/f5/AJ.params",
"ligand_files/params/8a/AX.params",
"ligand_files/params/20/AV.params",
"ligand_files/params/c1/AE.params",
"ligand_files/params/b8/A0.params",
"ligand_files/params/05/AK.params",
"ligand_files/params/de/A4.params",
"ligand_files/params/65/A6.params",
"ligand_files/params/ac/AU.params",
"ligand_files/params/b6/A2.params",
"ligand_files/params/d7/BI.params",
"ligand_files/params/a7/BC.params",
"ligand_files/params/80/AM.params",
"ligand_files/params/80/AA.params",
"ligand_files/params/8b/AQ.params",
"ligand_files/params/5b/BK.params",
"ligand_files/params/9f/BG.params",
"ligand_files/params/eb/BA.params",
"ligand_files/params/34/BE.params",
"ligand_files/params/df/AG.params",
"ligand_files/params/02/AY.params",
"ligand_files/params/07/AW.params",
"ligand_files/params/09/A8.params",
"ligand_files/params/37/BM.params",
"ligand_files/params/b1/AC.params",
"ligand_files/params/76/BO.params",
"ligand_files/params/56/AI.params",
"ligand_files/params/0a/AO.params",
"ligand_files/params/d0/AS.params"
]
}
另一个js运行报错
[FILE]: src/core/chemical/ResidueTypeSetCache.cc
[LINE]: 106
[START_MESSAGE]
[ ERROR ] UtilityExitException
ERROR: Error in core::chemical::ResidueTypeSetCache::add_residue_type(): Attempting to add a new residue type, but residue type 'A1' already exists in the cache. (Did you load a .params file with the -extra_res_fa commandline option that was already listed in residue_types.txt, perhaps?)